(1R,2S)-1-cyclohexyl-2-ethylbut-3-en-1-ol

C12H22O — CID 134965012

IUPAC(1R,2S)-1-cyclohexyl-2-ethylbut-3-en-1-ol
SMILESC=C[C@H](CC)[C@H](O)C1CCCCC1
InChIInChI=1S/C12H22O/c1-3-10(4-2)12(13)11-8-6-5-7-9-11/h3,10-13H,1,4-9H2,2H3/t10-,12+/m1/s1
InChIKeyZNDIPQSZHYBJAA-PWSUYJOCSA-N
MW182.31 g/mol
LogP3.14
Rot. Bonds4

About (1R,2S)-1-cyclohexyl-2-ethylbut-3-en-1-ol

(1R,2S)-1-cyclohexyl-2-ethylbut-3-en-1-ol (PubChem CID 134965012) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (1R,2S)-1-cyclohexyl-2-ethylbut-3-en-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-cyclohexyl-2-ethylbut-3-en-1-ol
PubChem CID134965012
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(1R,2S)-1-cyclohexyl-2-ethylbut-3-en-1-ol
SMILESC=C[C@H](CC)[C@H](O)C1CCCCC1
InChIInChI=1S/C12H22O/c1-3-10(4-2)12(13)11-8-6-5-7-9-11/h3,10-13H,1,4-9H2,2H3/t10-,12+/m1/s1
InChIKeyZNDIPQSZHYBJAA-PWSUYJOCSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.14
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

(-)-Isopulegol
CID 170833
Cyclohexanol, 5-methyl-2-(1-methylethenyl)-
CID 24585
Neoisopulegol
CID 6553885
Isopulegol, (+)-
CID 1268090
alpha-Ethyl-3-cyclooctene-1-methanol
CID 66934567
1-Cyclohexyl-2-buten-1-ol (c,t)
CID 5358342
(1R,2R,5R)-5-Methyl-2-(prop-1-en-2-yl)cyclohexanol
CID 7057941
Neoisopulegol, (-)-
CID 7057942
p-Menth-1(7)-en-9-ol
CID 564610
2-(Prop-2-en-1-yl)cyclohexan-1-ol
CID 11789291
2-Ethenylcyclohexan-1-ol
CID 5314569
o-Mentha-1(7),8-dien-3-ol
CID 564552

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-cyclohexyl-2-ethylbut-3-en-1-ol?
The IUPAC name of (1R,2S)-1-cyclohexyl-2-ethylbut-3-en-1-ol (CID 134965012) is (1R,2S)-1-cyclohexyl-2-ethylbut-3-en-1-ol.
What is the SMILES notation for (1R,2S)-1-cyclohexyl-2-ethylbut-3-en-1-ol?
The canonical SMILES for (1R,2S)-1-cyclohexyl-2-ethylbut-3-en-1-ol is C=C[C@H](CC)[C@H](O)C1CCCCC1.
What is the InChIKey of (1R,2S)-1-cyclohexyl-2-ethylbut-3-en-1-ol?
The InChIKey is ZNDIPQSZHYBJAA-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H22O/c1-3-10(4-2)12(13)11-8-6-5-7-9-11/h3,10-13H,1,4-9H2,2H3/t10-,12+/m1/s1.
What are the key properties of (1R,2S)-1-cyclohexyl-2-ethylbut-3-en-1-ol?
(1R,2S)-1-cyclohexyl-2-ethylbut-3-en-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-cyclohexyl-2-ethylbut-3-en-1-ol is sourced from PubChem (CID 134965012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).