1-cyclohexyl-2-methylcyclohex-3-en-1-ol

C13H22O — CID 25228119

IUPAC1-cyclohexyl-2-methylcyclohex-3-en-1-ol
SMILESCC1C=CCCC1(O)C1CCCCC1
InChIInChI=1S/C13H22O/c1-11-7-5-6-10-13(11,14)12-8-3-2-4-9-12/h5,7,11-12,14H,2-4,6,8-10H2,1H3
InChIKeyQLLYAPDNYAOBHE-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.28
Rot. Bonds1

About 1-cyclohexyl-2-methylcyclohex-3-en-1-ol

1-cyclohexyl-2-methylcyclohex-3-en-1-ol (PubChem CID 25228119) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-cyclohexyl-2-methylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-2-methylcyclohex-3-en-1-ol
PubChem CID25228119
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-cyclohexyl-2-methylcyclohex-3-en-1-ol
SMILESCC1C=CCCC1(O)C1CCCCC1
InChIInChI=1S/C13H22O/c1-11-7-5-6-10-13(11,14)12-8-3-2-4-9-12/h5,7,11-12,14H,2-4,6,8-10H2,1H3
InChIKeyQLLYAPDNYAOBHE-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.28
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-cyclohexyl-2-methylcyclohexan-1-ol
CID 43809284
1-cyclohexyl-4-methylcyclohex-2-en-1-ol
CID 165497306
1-cycloheptyl-2,4-dimethylcyclohexan-1-ol
CID 82929322
1-cyclobutyl-4-methylcyclohex-2-en-1-ol
CID 165497778
(1Z)-3-methylcyclooctene
CID 5352586
(1E)-3-methylcyclodecene
CID 5352563
3-methylcycloundecene
CID 54531806
(1Z)-3-methylcyclodecene
CID 6430931
(1Z)-3-methylcyclopentadecene
CID 140520640
2-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide
CID 175912648
(4S,4aS,8aS)-4,8a-dimethyl-2,3,4,4a,7,8-hexahydro-1H-naphthalene
CID 24796744
(3S,5R)-4-cyclohexyl-3,5-dimethylpiperidin-4-ol
CID 59130993

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methylcyclohex-3-en-1-ol?
The IUPAC name of 1-cyclohexyl-2-methylcyclohex-3-en-1-ol (CID 25228119) is 1-cyclohexyl-2-methylcyclohex-3-en-1-ol.
What is the SMILES notation for 1-cyclohexyl-2-methylcyclohex-3-en-1-ol?
The canonical SMILES for 1-cyclohexyl-2-methylcyclohex-3-en-1-ol is CC1C=CCCC1(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-methylcyclohex-3-en-1-ol?
The InChIKey is QLLYAPDNYAOBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-11-7-5-6-10-13(11,14)12-8-3-2-4-9-12/h5,7,11-12,14H,2-4,6,8-10H2,1H3.
What are the key properties of 1-cyclohexyl-2-methylcyclohex-3-en-1-ol?
1-cyclohexyl-2-methylcyclohex-3-en-1-ol has a molecular weight of 194.32 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methylcyclohex-3-en-1-ol is sourced from PubChem (CID 25228119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).