(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-ol

C9H16O2 — CID 10261326

IUPAC(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-ol
SMILESCO[C@H]1C=C[C@H](O)CC1(C)C
InChIInChI=1S/C9H16O2/c1-9(2)6-7(10)4-5-8(9)11-3/h4-5,7-8,10H,6H2,1-3H3/t7-,8-/m0/s1
InChIKeyODFCQJXXYWGXIK-YUMQZZPRSA-N
MW156.22 g/mol
LogP1.35
Rot. Bonds1

About (1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-ol

(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-ol (PubChem CID 10261326) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-ol
PubChem CID10261326
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-ol
SMILESCO[C@H]1C=C[C@H](O)CC1(C)C
InChIInChI=1S/C9H16O2/c1-9(2)6-7(10)4-5-8(9)11-3/h4-5,7-8,10H,6H2,1-3H3/t7-,8-/m0/s1
InChIKeyODFCQJXXYWGXIK-YUMQZZPRSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methylcyclopent-4-ene-1,3-diol
CID 14083582
2,2,4-trimethoxy-5,5-dimethylcyclohexan-1-ol
CID 164668290
3,3-dimethylcyclobutane-1,2-diol
CID 12791421
2,6,6-trimethylcyclohex-2-ene-1,4-diol
CID 85299248
(3S,6S)-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 14309521
5-methoxy-4,7,7-trimethylcyclohept-3-ene-1,2-diol
CID 22922327
1-methoxy-2,2,6,6-tetramethylpiperidine-3,4-diol
CID 175053387
2-methoxy-1,1,3,3-tetramethylcyclobutane
CID 163267922
2-methoxy-1,1,5-trimethylcyclohexane
CID 59938882
CID 102188245
CID 102188245
(1,4-dihydroxycyclopent-2-en-1-yl) acetate
CID 19431186
4-methoxy-3,3,5,5-tetramethylcyclohexane-1-carboxylic acid
CID 118941567

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-ol?
The IUPAC name of (1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-ol (CID 10261326) is (1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-ol is CO[C@H]1C=C[C@H](O)CC1(C)C.
What is the InChIKey of (1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-ol?
The InChIKey is ODFCQJXXYWGXIK-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H16O2/c1-9(2)6-7(10)4-5-8(9)11-3/h4-5,7-8,10H,6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-ol?
(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 10261326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).