(1R,5S)-3,5-dimethylcyclohex-2-en-1-ol

C8H14O — CID 129404741

IUPAC(1R,5S)-3,5-dimethylcyclohex-2-en-1-ol
SMILESCC1=C[C@H](O)C[C@@H](C)C1
InChIInChI=1S/C8H14O/c1-6-3-7(2)5-8(9)4-6/h4,7-9H,3,5H2,1-2H3/t7-,8-/m0/s1
InChIKeyDJYRWBAIPZTBAJ-YUMQZZPRSA-N
MW126.20 g/mol
LogP1.72
Rot. Bonds

About (1R,5S)-3,5-dimethylcyclohex-2-en-1-ol

(1R,5S)-3,5-dimethylcyclohex-2-en-1-ol (PubChem CID 129404741) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (1R,5S)-3,5-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,5S)-3,5-dimethylcyclohex-2-en-1-ol
PubChem CID129404741
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(1R,5S)-3,5-dimethylcyclohex-2-en-1-ol
SMILESCC1=C[C@H](O)C[C@@H](C)C1
InChIInChI=1S/C8H14O/c1-6-3-7(2)5-8(9)4-6/h4,7-9H,3,5H2,1-2H3/t7-,8-/m0/s1
InChIKeyDJYRWBAIPZTBAJ-YUMQZZPRSA-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'}

Analyze (1R,5S)-3,5-dimethylcyclohex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1,5-dimethylcyclohexene
CID 123667989
(2S,4S,5E,8S,9S)-4,8-dihydroxy-2,6-dimethyl-9-propan-2-ylcyclodec-5-en-1-one
CID 102066677
3-(2,2-dimethylpropyl)-1,5-dimethylcyclohexene
CID 123707543
(3S)-1,3-dimethylcyclobutene
CID 58737300
2,4-dimethyl-3,6-dihydro-2H-pyran-6-ol
CID 15658995
3-methyl-5-methylidenecyclohex-2-en-1-ol
CID 89206021
5-methyl-3,6-dihydro-2H-pyran-3-ol
CID 143495144
3,7-dimethyl-10-propan-2-ylcyclodeca-2,6-diene-1,5-diol
CID 75051828
5,7-dimethyl-1,4,4a,5,8,8a-hexahydronaphthalene-1,4-diol
CID 130142788
5-butyl-3-methylcyclohex-2-en-1-ol;(5-butyl-3-methylcyclohex-2-en-1-yl) acetate
CID 159099614
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
1,3,4,5-tetramethylcyclohexene
CID 12751050

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3,5-dimethylcyclohex-2-en-1-ol?
The IUPAC name of (1R,5S)-3,5-dimethylcyclohex-2-en-1-ol (CID 129404741) is (1R,5S)-3,5-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,5S)-3,5-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,5S)-3,5-dimethylcyclohex-2-en-1-ol is CC1=C[C@H](O)C[C@@H](C)C1.
What is the InChIKey of (1R,5S)-3,5-dimethylcyclohex-2-en-1-ol?
The InChIKey is DJYRWBAIPZTBAJ-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H14O/c1-6-3-7(2)5-8(9)4-6/h4,7-9H,3,5H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (1R,5S)-3,5-dimethylcyclohex-2-en-1-ol?
(1R,5S)-3,5-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 (1R,5S)-3,5-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 129404741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).