chempirical

3-Cyclohexene-1-methanol

C7H12OCAS 1679-51-2112.17 g/mol

Open in Covalent MOL file
HO
AlcoholAlkene

Properties

Molecular formula
C7H12O
Molar mass
112.17 g/mol
Exact mass
112.0888 Da
Boiling point
82 °C (at 12 Torr)
logP
1.33Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
1679-51-2
SMILES
OCC1CC=CCC1
InChIKey
VEIYJWQZNGASMA-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h1-2,7-8H,3-6H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • 3-Cyclohexene-1-carbinol
  • 4-(Hydroxymethyl)-1-cyclohexene
  • 1-(Hydroxymethyl)-3-cyclohexene
  • Cyclohex-3-en-1-ylmethanol
  • 1,2,3,6-Tetrahydrobenzyl alcohol
  • 1,2,5,6-Tetrahydrobenzyl alcohol
  • Cyclohexen-4-ylmethanol
  • (Cyclohex-1-en-4-yl)methanol
  • NSC 158554
  • 3,4-Cyclohexenylmethanol
  • Cyclohex-1-ene-4-methanol
  • (Cyclohex-3-enyl)methanol
  • THBA

Work with 3-Cyclohexene-1-methanol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cyclohexanedimethanol105-08-843 % similar Cyclopropanemethanol2516-33-843 % similar trans-1,4-Cyclohexanedimethanol3236-48-443 % similar 2-(Hydroxymethyl)-1,3-propanediol4704-94-340 % similar Cyclopentanemethanol3637-61-439 % similar Cyclobutanemethanol4415-82-139 % similar 4-Methylcyclohexene591-47-938 % similar 3,4-Dihydro-2H-pyran-2-methanol3749-36-838 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Heptyn-1-ol1002-36-4 3-Hepten-2-one1119-44-4 Dicyclopropylmethanol14300-33-5 3,4-Dimethyl-1-pentyn-3-ol1482-15-1 3-Heptyn-1-ol14916-79-1 Methylenecyclohexane oxide185-70-6 trans-2-Heptenal18829-55-5 4-Heptyn-2-ol19781-81-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook