1,5,5-trimethylcyclohex-2-en-1-ol

C9H16O — CID 11469121

IUPAC1,5,5-trimethylcyclohex-2-en-1-ol
SMILESCC1(O)C=CCC(C)(C)C1
InChIInChI=1S/C9H16O/c1-8(2)5-4-6-9(3,10)7-8/h4,6,10H,5,7H2,1-3H3
InChIKeyYGBNHNGYSRNOKG-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.11
Rot. Bonds

About 1,5,5-trimethylcyclohex-2-en-1-ol

1,5,5-trimethylcyclohex-2-en-1-ol (PubChem CID 11469121) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1,5,5-trimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name1,5,5-trimethylcyclohex-2-en-1-ol
PubChem CID11469121
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1,5,5-trimethylcyclohex-2-en-1-ol
SMILESCC1(O)C=CCC(C)(C)C1
InChIInChI=1S/C9H16O/c1-8(2)5-4-6-9(3,10)7-8/h4,6,10H,5,7H2,1-3H3
InChIKeyYGBNHNGYSRNOKG-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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Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethylcyclohex-2-en-1-ol?
The IUPAC name of 1,5,5-trimethylcyclohex-2-en-1-ol (CID 11469121) is 1,5,5-trimethylcyclohex-2-en-1-ol.
What is the SMILES notation for 1,5,5-trimethylcyclohex-2-en-1-ol?
The canonical SMILES for 1,5,5-trimethylcyclohex-2-en-1-ol is CC1(O)C=CCC(C)(C)C1.
What is the InChIKey of 1,5,5-trimethylcyclohex-2-en-1-ol?
The InChIKey is YGBNHNGYSRNOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-8(2)5-4-6-9(3,10)7-8/h4,6,10H,5,7H2,1-3H3.
What are the key properties of 1,5,5-trimethylcyclohex-2-en-1-ol?
1,5,5-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 1,5,5-trimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 11469121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).