(4S)-1,4-dimethylcyclohex-2-en-1-ol

C8H14O — CID 89083200

IUPAC(4S)-1,4-dimethylcyclohex-2-en-1-ol
SMILESC[C@@H]1C=CC(C)(O)CC1
InChIInChI=1S/C8H14O/c1-7-3-5-8(2,9)6-4-7/h3,5,7,9H,4,6H2,1-2H3/t7-,8?/m1/s1
InChIKeyZKNHTEPELGFCFH-GVHYBUMESA-N
MW126.20 g/mol
LogP1.72
Rot. Bonds

About (4S)-1,4-dimethylcyclohex-2-en-1-ol

(4S)-1,4-dimethylcyclohex-2-en-1-ol (PubChem CID 89083200) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (4S)-1,4-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(4S)-1,4-dimethylcyclohex-2-en-1-ol
PubChem CID89083200
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(4S)-1,4-dimethylcyclohex-2-en-1-ol
SMILESC[C@@H]1C=CC(C)(O)CC1
InChIInChI=1S/C8H14O/c1-7-3-5-8(2,9)6-4-7/h3,5,7,9H,4,6H2,1-2H3/t7-,8?/m1/s1
InChIKeyZKNHTEPELGFCFH-GVHYBUMESA-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 (4S)-1,4-dimethylcyclohex-2-en-1-ol?
The IUPAC name of (4S)-1,4-dimethylcyclohex-2-en-1-ol (CID 89083200) is (4S)-1,4-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for (4S)-1,4-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for (4S)-1,4-dimethylcyclohex-2-en-1-ol is C[C@@H]1C=CC(C)(O)CC1.
What is the InChIKey of (4S)-1,4-dimethylcyclohex-2-en-1-ol?
The InChIKey is ZKNHTEPELGFCFH-GVHYBUMESA-N. The full InChI is InChI=1S/C8H14O/c1-7-3-5-8(2,9)6-4-7/h3,5,7,9H,4,6H2,1-2H3/t7-,8?/m1/s1.
What are the key properties of (4S)-1,4-dimethylcyclohex-2-en-1-ol?
(4S)-1,4-dimethylcyclohex-2-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 (4S)-1,4-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 89083200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).