2,6-dimethylcyclohex-3-en-1-ol

C8H14O — CID 15633889

IUPAC2,6-dimethylcyclohex-3-en-1-ol
SMILESCC1C=CCC(C)C1O
InChIInChI=1S/C8H14O/c1-6-4-3-5-7(2)8(6)9/h3-4,6-9H,5H2,1-2H3
InChIKeyWVIDUZKFJCZIMI-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.58
Rot. Bonds

About 2,6-dimethylcyclohex-3-en-1-ol

2,6-dimethylcyclohex-3-en-1-ol (PubChem CID 15633889) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2,6-dimethylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name2,6-dimethylcyclohex-3-en-1-ol
PubChem CID15633889
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2,6-dimethylcyclohex-3-en-1-ol
SMILESCC1C=CCC(C)C1O
InChIInChI=1S/C8H14O/c1-6-4-3-5-7(2)8(6)9/h3-4,6-9H,5H2,1-2H3
InChIKeyWVIDUZKFJCZIMI-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
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 2,6-dimethylcyclohex-3-en-1-ol?
The IUPAC name of 2,6-dimethylcyclohex-3-en-1-ol (CID 15633889) is 2,6-dimethylcyclohex-3-en-1-ol.
What is the SMILES notation for 2,6-dimethylcyclohex-3-en-1-ol?
The canonical SMILES for 2,6-dimethylcyclohex-3-en-1-ol is CC1C=CCC(C)C1O.
What is the InChIKey of 2,6-dimethylcyclohex-3-en-1-ol?
The InChIKey is WVIDUZKFJCZIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-6-4-3-5-7(2)8(6)9/h3-4,6-9H,5H2,1-2H3.
What are the key properties of 2,6-dimethylcyclohex-3-en-1-ol?
2,6-dimethylcyclohex-3-en-1-ol has a molecular weight of 126.20 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylcyclohex-3-en-1-ol is sourced from PubChem (CID 15633889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).