3-methyl-4-methylidenecyclohexan-1-ol

C8H14O — CID 91313026

IUPAC3-methyl-4-methylidenecyclohexan-1-ol
SMILESC=C1CCC(O)CC1C
InChIInChI=1S/C8H14O/c1-6-3-4-8(9)5-7(6)2/h7-9H,1,3-5H2,2H3
InChIKeyORJOHJVZGRZNKJ-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.72
Rot. Bonds

About 3-methyl-4-methylidenecyclohexan-1-ol

3-methyl-4-methylidenecyclohexan-1-ol (PubChem CID 91313026) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-methyl-4-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-4-methylidenecyclohexan-1-ol
PubChem CID91313026
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-methyl-4-methylidenecyclohexan-1-ol
SMILESC=C1CCC(O)CC1C
InChIInChI=1S/C8H14O/c1-6-3-4-8(9)5-7(6)2/h7-9H,1,3-5H2,2H3
InChIKeyORJOHJVZGRZNKJ-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
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

cis-(1S,3R)-4-methylidenecyclohexane-1,3-diol
CID 101043296
1-methyl-2-methylidenecyclobutane
CID 20800914
trans-(2R,4R)-2-methyl-1-methylidene-4-propan-2-ylcyclohexane
CID 6850748
2-[4-(3-methyl-4-methylidenecyclohexyl)phenyl]acetic acid
CID 91445932
2-methylidene-5-propan-2-ylcyclohexan-1-ol
CID 12642437
(2S)-2-methylazepan-4-ol
CID 155155267
3-methyl-8-methylidenebicyclo[3.2.1]octane
CID 90879881
1,2-dimethyl-3-methylidenecyclopentane
CID 529615
cis-(1S,5R)-5-tert-butyl-2-methylidenecyclohexan-1-ol
CID 12027036
trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine
CID 89221861
5-hydroxy-2-methylcycloheptan-1-one
CID 20517423
cis-(1R,4S)-2-methyl-6-methylidenecyclohexane-1,4-diol
CID 134964075

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-methylidenecyclohexan-1-ol?
The IUPAC name of 3-methyl-4-methylidenecyclohexan-1-ol (CID 91313026) is 3-methyl-4-methylidenecyclohexan-1-ol.
What is the SMILES notation for 3-methyl-4-methylidenecyclohexan-1-ol?
The canonical SMILES for 3-methyl-4-methylidenecyclohexan-1-ol is C=C1CCC(O)CC1C.
What is the InChIKey of 3-methyl-4-methylidenecyclohexan-1-ol?
The InChIKey is ORJOHJVZGRZNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-6-3-4-8(9)5-7(6)2/h7-9H,1,3-5H2,2H3.
What are the key properties of 3-methyl-4-methylidenecyclohexan-1-ol?
3-methyl-4-methylidenecyclohexan-1-ol has a molecular weight of 126.20 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylidenecyclohexan-1-ol is sourced from PubChem (CID 91313026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).