1-cyclohexylhept-6-en-3-ol

C13H24O — CID 115804677

IUPAC1-cyclohexylhept-6-en-3-ol
SMILESC=CCCC(O)CCC1CCCCC1
InChIInChI=1S/C13H24O/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h2,12-14H,1,3-11H2
InChIKeyAOTGTTAWAQASFW-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.67
Rot. Bonds6

About 1-cyclohexylhept-6-en-3-ol

1-cyclohexylhept-6-en-3-ol (PubChem CID 115804677) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-cyclohexylhept-6-en-3-ol.

Molecular Properties

Compound Name1-cyclohexylhept-6-en-3-ol
PubChem CID115804677
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-cyclohexylhept-6-en-3-ol
SMILESC=CCCC(O)CCC1CCCCC1
InChIInChI=1S/C13H24O/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h2,12-14H,1,3-11H2
InChIKeyAOTGTTAWAQASFW-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,5-dicyclohexylpentan-3-ol
CID 56981010
1-cyclopentylhex-5-en-3-ol
CID 115778851
but-3-enylcyclododecane
CID 54074675
(2S)-4-cyclohexylbutane-1,2-diol
CID 11171243
1-cyclohexyl-6-methylhept-6-en-3-ol
CID 115834468
1-amino-5-cyclopentylpentan-3-ol
CID 65184761
but-3-enylcyclohexane;carbonic acid
CID 70349609
2-methylhex-5-enylcyclohexane
CID 142828676
1-cyclohexyloct-7-en-3-ylhydrazine
CID 105311304
1-cyclohexylpent-4-en-2-ol
CID 13166988
hex-5-enylcyclopentane
CID 20565123
1-cyclopentyldecan-3-ol
CID 115783211

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylhept-6-en-3-ol?
The IUPAC name of 1-cyclohexylhept-6-en-3-ol (CID 115804677) is 1-cyclohexylhept-6-en-3-ol.
What is the SMILES notation for 1-cyclohexylhept-6-en-3-ol?
The canonical SMILES for 1-cyclohexylhept-6-en-3-ol is C=CCCC(O)CCC1CCCCC1.
What is the InChIKey of 1-cyclohexylhept-6-en-3-ol?
The InChIKey is AOTGTTAWAQASFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h2,12-14H,1,3-11H2.
What are the key properties of 1-cyclohexylhept-6-en-3-ol?
1-cyclohexylhept-6-en-3-ol has a molecular weight of 196.33 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylhept-6-en-3-ol is sourced from PubChem (CID 115804677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).