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Molecule
Cis-3-Hexen-1-Ol
CAS: 928-96-1 · C6H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 928-96-1
- Molecular Formula
- C6H12O
- Molecular Mass
- 100.16 g/mol
Identifiers
CAS Registry Number
928-96-1
SMILES
CC/C=CCCO
InChI Key
UFLHIIWVXFIJGU-ARJAWSKDSA-N
InChI
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-
Names and Synonyms
- Cis-3-Hexen-1-Ol Synonym
- 3-Hexen-1-ol, (3Z)- Synonym
- 3-Hexen-1-ol, (Z)- Synonym
- 3-Hexen-1-ol, cis- Synonym
- (3Z)-3-Hexen-1-ol Synonym
- Blaetteralkohol Synonym
- Leaf alcohol Synonym
- cis-3-Hexenol Synonym
- (Z)-3-Hexenol Synonym
- (Z)-Hex-3-en-1-ol Synonym
- ENT 25091 Synonym
- cis-3-Hexen-1-ol Synonym
- cis-3-Hexene-1-ol Synonym
- cis-3-Hexenyl alcohol Synonym
- Folic alcohol Synonym
- 3Z-Hexen-1-ol Synonym
- 3Z-Hexen-1-ol Synonym
- Green leaf alcohol Synonym
- (3Z)-Hexenol Synonym
- (Z)-3-Hexen-1-ol Synonym
- cis-1-Hydroxy-3-hexene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 100.16 g/mol | CAS Common Chemistry |
| 100.161 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cis-3-Hexen-1-ol | CAS Common Chemistry |
| Boiling Point | 156.5 °C | CAS Common Chemistry |
| Canonical SMILES | OCCC=CCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3- | CAS Common Chemistry |
| InChI Key | InChIKey=UFLHIIWVXFIJGU-ARJAWSKDSA-N | CAS Common Chemistry |
| Melting Point | 91 °C | CAS Common Chemistry |
| Name | cis-3-Hexen-1-ol | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 1.335 | RDKit |
| Molar Refractivity | 31.133799999999983 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 100.088815004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 100.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12O.
