(2R)-2-cyclohexyl-2-methylbut-3-en-1-ol

C11H20O — CID 125485438

IUPAC(2R)-2-cyclohexyl-2-methylbut-3-en-1-ol
SMILESC=C[C@@](C)(CO)C1CCCCC1
InChIInChI=1S/C11H20O/c1-3-11(2,9-12)10-7-5-4-6-8-10/h3,10,12H,1,4-9H2,2H3/t11-/m0/s1
InChIKeyJBJNXDPBNHVUDQ-NSHDSACASA-N
MW168.28 g/mol
LogP2.75
Rot. Bonds3

About (2R)-2-cyclohexyl-2-methylbut-3-en-1-ol

(2R)-2-cyclohexyl-2-methylbut-3-en-1-ol (PubChem CID 125485438) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-methylbut-3-en-1-ol.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-2-methylbut-3-en-1-ol
PubChem CID125485438
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2R)-2-cyclohexyl-2-methylbut-3-en-1-ol
SMILESC=C[C@@](C)(CO)C1CCCCC1
InChIInChI=1S/C11H20O/c1-3-11(2,9-12)10-7-5-4-6-8-10/h3,10,12H,1,4-9H2,2H3/t11-/m0/s1
InChIKeyJBJNXDPBNHVUDQ-NSHDSACASA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.75
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

p-Menth-1(7)-en-9-ol
CID 564610
[(1S,2R,4S)-1-ethenyl-2,4-bis(prop-1-en-2-yl)cyclohexyl]methanol
CID 163082506
(S)-gamma-Cyclogeraniol
CID 11275129
1-(1-(2-Propenyl)cyclohexyl)methanol
CID 20328679
2-(2,2-Dimethyl-6-methylenecyclohexyl)-ethanol
CID 10374825
Cyclohexanepropanol, 2,2-dimethyl-6-methylene-
CID 549684
Cyclohexanol, 1-(1,1-dimethyl-2-propenyl)-
CID 11073826
1-Cyclohexyl-2-methylbut-3-en-1-ol
CID 11275241
Cyclohexanemethanol, 2-(2-propenyl)-, trans-
CID 12910245
(1R,2S)-1-cyclohexyl-2-methylbut-3-en-1-ol
CID 13331993
(1R,2R)-1-cyclohexyl-2-methylbut-3-en-1-ol
CID 13331994
3,3-Dimethyl-1-decen-4-ol
CID 14120387

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-2-methylbut-3-en-1-ol?
The IUPAC name of (2R)-2-cyclohexyl-2-methylbut-3-en-1-ol (CID 125485438) is (2R)-2-cyclohexyl-2-methylbut-3-en-1-ol.
What is the SMILES notation for (2R)-2-cyclohexyl-2-methylbut-3-en-1-ol?
The canonical SMILES for (2R)-2-cyclohexyl-2-methylbut-3-en-1-ol is C=C[C@@](C)(CO)C1CCCCC1.
What is the InChIKey of (2R)-2-cyclohexyl-2-methylbut-3-en-1-ol?
The InChIKey is JBJNXDPBNHVUDQ-NSHDSACASA-N. The full InChI is InChI=1S/C11H20O/c1-3-11(2,9-12)10-7-5-4-6-8-10/h3,10,12H,1,4-9H2,2H3/t11-/m0/s1.
What are the key properties of (2R)-2-cyclohexyl-2-methylbut-3-en-1-ol?
(2R)-2-cyclohexyl-2-methylbut-3-en-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-2-methylbut-3-en-1-ol is sourced from PubChem (CID 125485438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).