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

C7H12O — CID 12882501

IUPAC(1R,2R)-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-/m1/s1
InChIKeyCNOVDBQIVBDOBQ-RNFRBKRXSA-N
MW112.17 g/mol
LogP1.33
Rot. Bonds

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

(1R,2R)-2-methylcyclohex-3-en-1-ol (PubChem CID 12882501) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (1R,2R)-2-methylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-methylcyclohex-3-en-1-ol
PubChem CID12882501
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(1R,2R)-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-/m1/s1
InChIKeyCNOVDBQIVBDOBQ-RNFRBKRXSA-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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Related Compounds

3-Cyclohexene-1-methanol
CID 15512
3-Cyclohexen-1-ol
CID 556685
1-(Cyclohex-2-en-1-yl)ethan-1-ol
CID 86534
2-Cyclohexene-1-methanol
CID 11083859
Bicyclo[2.2.1]hepta-2,5-dien-7-ol
CID 13200
5-Methylidene-6-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 32054
2-Methyl-5-hexen-3-ol
CID 141746
3-Methyl-3-cyclohexen-1-ol
CID 566300
p-Mentha-1(6),8-dien-3-ol
CID 14844669
5,5-Dimethyl-3-cyclohexen-1-ol
CID 546038
4-Methyl-5-hexen-3-ol
CID 12496406
(S)-3-cyclohexene-1-methanol
CID 12299191

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-methylcyclohex-3-en-1-ol?
The IUPAC name of (1R,2R)-2-methylcyclohex-3-en-1-ol (CID 12882501) is (1R,2R)-2-methylcyclohex-3-en-1-ol.
What is the SMILES notation for (1R,2R)-2-methylcyclohex-3-en-1-ol?
The canonical SMILES for (1R,2R)-2-methylcyclohex-3-en-1-ol is C[C@@H]1C=CCC[C@H]1O.
What is the InChIKey of (1R,2R)-2-methylcyclohex-3-en-1-ol?
The InChIKey is CNOVDBQIVBDOBQ-RNFRBKRXSA-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-/m1/s1.
What are the key properties of (1R,2R)-2-methylcyclohex-3-en-1-ol?
(1R,2R)-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 (1R,2R)-2-methylcyclohex-3-en-1-ol is sourced from PubChem (CID 12882501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).