(1S,2S)-2-methylcyclohex-3-en-1-ol

C7H12O — CID 12882503

IUPAC(1S,2S)-2-methylcyclohex-3-en-1-ol
SMILESC[C@H]1C=CCC[C@@H]1O
InChIInChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h2,4,6-8H,3,5H2,1H3/t6-,7-/m0/s1
InChIKeyCNOVDBQIVBDOBQ-BQBZGAKWSA-N
MW112.17 g/mol
LogP1.33
Rot. Bonds

About (1S,2S)-2-methylcyclohex-3-en-1-ol

(1S,2S)-2-methylcyclohex-3-en-1-ol (PubChem CID 12882503) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (1S,2S)-2-methylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-methylcyclohex-3-en-1-ol
PubChem CID12882503
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(1S,2S)-2-methylcyclohex-3-en-1-ol
SMILESC[C@H]1C=CCC[C@@H]1O
InChIInChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h2,4,6-8H,3,5H2,1H3/t6-,7-/m0/s1
InChIKeyCNOVDBQIVBDOBQ-BQBZGAKWSA-N
XLogP1.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.33
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 (1S,2S)-2-methylcyclohex-3-en-1-ol?
The IUPAC name of (1S,2S)-2-methylcyclohex-3-en-1-ol (CID 12882503) is (1S,2S)-2-methylcyclohex-3-en-1-ol.
What is the SMILES notation for (1S,2S)-2-methylcyclohex-3-en-1-ol?
The canonical SMILES for (1S,2S)-2-methylcyclohex-3-en-1-ol is C[C@H]1C=CCC[C@@H]1O.
What is the InChIKey of (1S,2S)-2-methylcyclohex-3-en-1-ol?
The InChIKey is CNOVDBQIVBDOBQ-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h2,4,6-8H,3,5H2,1H3/t6-,7-/m0/s1.
What are the key properties of (1S,2S)-2-methylcyclohex-3-en-1-ol?
(1S,2S)-2-methylcyclohex-3-en-1-ol has a molecular weight of 112.17 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-methylcyclohex-3-en-1-ol is sourced from PubChem (CID 12882503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).