1-methyl-3-methylidenecyclohexan-1-ol

C8H14O — CID 23345654

IUPAC1-methyl-3-methylidenecyclohexan-1-ol
SMILESC=C1CCCC(C)(O)C1
InChIInChI=1S/C8H14O/c1-7-4-3-5-8(2,9)6-7/h9H,1,3-6H2,2H3
InChIKeyVTJICNFLIHZIOQ-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.87
Rot. Bonds

About 1-methyl-3-methylidenecyclohexan-1-ol

1-methyl-3-methylidenecyclohexan-1-ol (PubChem CID 23345654) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-methyl-3-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Name1-methyl-3-methylidenecyclohexan-1-ol
PubChem CID23345654
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-methyl-3-methylidenecyclohexan-1-ol
SMILESC=C1CCCC(C)(O)C1
InChIInChI=1S/C8H14O/c1-7-4-3-5-8(2,9)6-7/h9H,1,3-6H2,2H3
InChIKeyVTJICNFLIHZIOQ-UHFFFAOYSA-N
XLogP1.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.87
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

1,1-dimethyl-3-methylidenecyclohexane;ethane
CID 91238646
3-hydroxy-3-methylcyclopentadecan-1-one
CID 11311367
2-(1-methyl-3-methylidenecyclohexyl)acetonitrile
CID 10796911
lithium 1-methylcyclopentan-1-ol
CID 18764027
1-methyl-5-methylidenecyclohexane-1,3-diol
CID 91024356
methanol;methylidenecyclohexane
CID 175367336
cerium;1-methylcyclohexan-1-ol
CID 146687678
2-methyl-4-[2-[(1R)-1-methyl-3-methylidenecyclohexyl]ethoxy]butan-2-ol
CID 54265768
(4Z)-1,5-dimethylcyclooct-4-en-1-ol
CID 14267333
1-(hydroxymethyl)cyclobutan-1-ol;methylidenecyclobutane
CID 158667132
4-methylidenecyclohexane-1,1-diol
CID 89206181
acetylene;1-methylcyclohexan-1-ol
CID 142432034

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylidenecyclohexan-1-ol?
The IUPAC name of 1-methyl-3-methylidenecyclohexan-1-ol (CID 23345654) is 1-methyl-3-methylidenecyclohexan-1-ol.
What is the SMILES notation for 1-methyl-3-methylidenecyclohexan-1-ol?
The canonical SMILES for 1-methyl-3-methylidenecyclohexan-1-ol is C=C1CCCC(C)(O)C1.
What is the InChIKey of 1-methyl-3-methylidenecyclohexan-1-ol?
The InChIKey is VTJICNFLIHZIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7-4-3-5-8(2,9)6-7/h9H,1,3-6H2,2H3.
What are the key properties of 1-methyl-3-methylidenecyclohexan-1-ol?
1-methyl-3-methylidenecyclohexan-1-ol has a molecular weight of 126.20 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylidenecyclohexan-1-ol is sourced from PubChem (CID 23345654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).