3,4,4-trimethylcyclohex-2-en-1-ol

C9H16O — CID 549793

IUPAC3,4,4-trimethylcyclohex-2-en-1-ol
SMILESCC1=CC(O)CCC1(C)C
InChIInChI=1S/C9H16O/c1-7-6-8(10)4-5-9(7,2)3/h6,8,10H,4-5H2,1-3H3
InChIKeyPFGIRKUZXJBNHE-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.11
Rot. Bonds

About 3,4,4-trimethylcyclohex-2-en-1-ol

3,4,4-trimethylcyclohex-2-en-1-ol (PubChem CID 549793) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3,4,4-trimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3,4,4-trimethylcyclohex-2-en-1-ol
PubChem CID549793
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3,4,4-trimethylcyclohex-2-en-1-ol
SMILESCC1=CC(O)CCC1(C)C
InChIInChI=1S/C9H16O/c1-7-6-8(10)4-5-9(7,2)3/h6,8,10H,4-5H2,1-3H3
InChIKeyPFGIRKUZXJBNHE-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.11
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

Perillyl Alcohol
CID 10819
Carveol
CID 7438
Perilla alcohol
CID 369312
Verbenol
CID 61126
alpha-IONOL
CID 5363817
Sobrerol
CID 91463
Carveol, trans-(-)-
CID 94221
Carveol, cis-(-)-
CID 330573
Menthadienol
CID 527143
(+)-Perillyl alcohol
CID 11788398
p-Menth-1-en-3-ol
CID 10282
(+)-cis-Carveol
CID 443177

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethylcyclohex-2-en-1-ol?
The IUPAC name of 3,4,4-trimethylcyclohex-2-en-1-ol (CID 549793) is 3,4,4-trimethylcyclohex-2-en-1-ol.
What is the SMILES notation for 3,4,4-trimethylcyclohex-2-en-1-ol?
The canonical SMILES for 3,4,4-trimethylcyclohex-2-en-1-ol is CC1=CC(O)CCC1(C)C.
What is the InChIKey of 3,4,4-trimethylcyclohex-2-en-1-ol?
The InChIKey is PFGIRKUZXJBNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-6-8(10)4-5-9(7,2)3/h6,8,10H,4-5H2,1-3H3.
What are the key properties of 3,4,4-trimethylcyclohex-2-en-1-ol?
3,4,4-trimethylcyclohex-2-en-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 549793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).