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

C10H18O — CID 11205888

IUPAC(1R,2R)-2-butylcyclohex-3-en-1-ol
SMILESCCCC[C@@H]1C=CCC[C@H]1O
InChIInChI=1S/C10H18O/c1-2-3-6-9-7-4-5-8-10(9)11/h4,7,9-11H,2-3,5-6,8H2,1H3/t9-,10-/m1/s1
InChIKeyGHNPUJNHFNKYQC-NXEZZACHSA-N
MW154.25 g/mol
LogP2.50
Rot. Bonds3

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

(1R,2R)-2-butylcyclohex-3-en-1-ol (PubChem CID 11205888) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1R,2R)-2-butylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-butylcyclohex-3-en-1-ol
PubChem CID11205888
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1R,2R)-2-butylcyclohex-3-en-1-ol
SMILESCCCC[C@@H]1C=CCC[C@H]1O
InChIInChI=1S/C10H18O/c1-2-3-6-9-7-4-5-8-10(9)11/h4,7,9-11H,2-3,5-6,8H2,1H3/t9-,10-/m1/s1
InChIKeyGHNPUJNHFNKYQC-NXEZZACHSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.50
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

(3S)-3-nonylcyclopentene
CID 90814175
2-propylcyclohex-3-en-1-amine
CID 67951489
(2R,3S,6Z,8R,9R)-3,8-dihydroxy-9-methyl-2-pentyl-2,3,4,5,8,9-hexahydrooxecin-10-one
CID 102134456
3,4,5,6-tetrabutylcyclohexene
CID 21497713
cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
3-[(3E)-3-ethylideneheptyl]cyclopentene
CID 143683546
4-methyl-3-(4-methylpentyl)cyclohexene
CID 142386798
butane;3-methylcyclopentene
CID 143221247
(3R)-3-hexylcyclohexene
CID 144775192
4-butylcyclopent-2-en-1-ol
CID 13414982
dimethyl (1S,2R,3R)-3-butylcyclohex-4-ene-1,2-dicarboxylate
CID 117062089

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-butylcyclohex-3-en-1-ol?
The IUPAC name of (1R,2R)-2-butylcyclohex-3-en-1-ol (CID 11205888) is (1R,2R)-2-butylcyclohex-3-en-1-ol.
What is the SMILES notation for (1R,2R)-2-butylcyclohex-3-en-1-ol?
The canonical SMILES for (1R,2R)-2-butylcyclohex-3-en-1-ol is CCCC[C@@H]1C=CCC[C@H]1O.
What is the InChIKey of (1R,2R)-2-butylcyclohex-3-en-1-ol?
The InChIKey is GHNPUJNHFNKYQC-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18O/c1-2-3-6-9-7-4-5-8-10(9)11/h4,7,9-11H,2-3,5-6,8H2,1H3/t9-,10-/m1/s1.
What are the key properties of (1R,2R)-2-butylcyclohex-3-en-1-ol?
(1R,2R)-2-butylcyclohex-3-en-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-butylcyclohex-3-en-1-ol is sourced from PubChem (CID 11205888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).