1,5-dimethylcyclohex-3-en-1-ol

C8H14O — CID 101312152

IUPAC1,5-dimethylcyclohex-3-en-1-ol
SMILESCC1C=CCC(C)(O)C1
InChIInChI=1S/C8H14O/c1-7-4-3-5-8(2,9)6-7/h3-4,7,9H,5-6H2,1-2H3
InChIKeyNUFHYUTXYXLXIJ-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.72
Rot. Bonds

About 1,5-dimethylcyclohex-3-en-1-ol

1,5-dimethylcyclohex-3-en-1-ol (PubChem CID 101312152) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1,5-dimethylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name1,5-dimethylcyclohex-3-en-1-ol
PubChem CID101312152
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1,5-dimethylcyclohex-3-en-1-ol
SMILESCC1C=CCC(C)(O)C1
InChIInChI=1S/C8H14O/c1-7-4-3-5-8(2,9)6-7/h3-4,7,9H,5-6H2,1-2H3
InChIKeyNUFHYUTXYXLXIJ-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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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylcyclohex-3-en-1-ol?
The IUPAC name of 1,5-dimethylcyclohex-3-en-1-ol (CID 101312152) is 1,5-dimethylcyclohex-3-en-1-ol.
What is the SMILES notation for 1,5-dimethylcyclohex-3-en-1-ol?
The canonical SMILES for 1,5-dimethylcyclohex-3-en-1-ol is CC1C=CCC(C)(O)C1.
What is the InChIKey of 1,5-dimethylcyclohex-3-en-1-ol?
The InChIKey is NUFHYUTXYXLXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7-4-3-5-8(2,9)6-7/h3-4,7,9H,5-6H2,1-2H3.
What are the key properties of 1,5-dimethylcyclohex-3-en-1-ol?
1,5-dimethylcyclohex-3-en-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 1,5-dimethylcyclohex-3-en-1-ol is sourced from PubChem (CID 101312152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).