1,7-Heptanediol
Properties
- Molecular formula
- C7H16O2
- Molar mass
- 132.20 g/mol
- Exact mass
- 132.1150 Da
- Density
- 0.9569 g/mL (at 25 °C)
- Melting point
- 22.5 °C
- Boiling point
- 262 °C
- logP
- 0.92Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 6
Hazards
Warning
- H319 Causes serious eye irritation25% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264+P265, P280, P305+P351+P338, P337+P317
Identifiers
CAS number
629-30-1SMILES
OCCCCCCCOInChIKey
SXCBDZAEHILGLM-UHFFFAOYSA-NInChI
InChI=1S/C7H16O2/c8-6-4-2-1-3-5-7-9/h8-9H,1-7H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- 1,7-Dihydroxyheptane
- α,ω-Heptanediol
- ω-Heptanediol
- NSC 3821
- Heptmethylene glycol
Work with 1,7-Heptanediol
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,5-Pentanediol111-29-5100 % similar
1,10-Decanediol112-47-0100 % similar
1,13-Tridecanediol13362-52-2100 % similar
1,14-Tetradecanediol19812-64-7100 % similar
1,18-Octadecanediol3155-43-9100 % similar
1,9-Nonanediol3937-56-2100 % similar
1,12-Dodecanediol5675-51-4100 % similar
1,6-Hexanediol629-11-8100 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds