2-[(E)-3-chloroprop-2-enyl]-4-ethylcyclohexan-1-ol

C11H19ClO — CID 107900942

IUPAC2-[(E)-3-chloroprop-2-enyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(C/C=C/Cl)C1
InChIInChI=1S/C11H19ClO/c1-2-9-5-6-11(13)10(8-9)4-3-7-12/h3,7,9-11,13H,2,4-6,8H2,1H3/b7-3+
InChIKeyJESLXLRUXCSISQ-XVNBXDOJSA-N
MW202.72 g/mol
LogP3.32
Rot. Bonds3

About 2-[(E)-3-chloroprop-2-enyl]-4-ethylcyclohexan-1-ol

2-[(E)-3-chloroprop-2-enyl]-4-ethylcyclohexan-1-ol (PubChem CID 107900942) has the molecular formula C11H19ClO and a molecular weight of 202.72 g/mol. Its IUPAC name is 2-[(E)-3-chloroprop-2-enyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(E)-3-chloroprop-2-enyl]-4-ethylcyclohexan-1-ol
PubChem CID107900942
Molecular FormulaC11H19ClO
Molecular Weight202.72 g/mol
Exact Mass202.11
IUPAC Name2-[(E)-3-chloroprop-2-enyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(C/C=C/Cl)C1
InChIInChI=1S/C11H19ClO/c1-2-9-5-6-11(13)10(8-9)4-3-7-12/h3,7,9-11,13H,2,4-6,8H2,1H3/b7-3+
InChIKeyJESLXLRUXCSISQ-XVNBXDOJSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.72
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-2-(2-ethylbutyl)cyclohexan-1-ol
CID 82929938
2-dodecyl-4-ethylcyclohexan-1-ol
CID 63461251
2-[[cyclohexylmethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 63488742
2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 55094767
4-ethyl-2-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol
CID 79422405
4-ethyl-2-[(4-propylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 62611300
4-ethyl-2-[(4-ethylphenyl)methyl]cyclohexan-1-ol
CID 63461440
1-[(E)-3-chloroprop-2-enyl]-3-ethylpiperidin-4-ol
CID 114511079
4-ethyl-2-(2-hydroxy-2,3-dimethylbutyl)cyclohexan-1-ol
CID 114496727
4-ethyl-2-[[methyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol
CID 62611284
4-ethyl-2-(pyridin-4-ylmethyl)cyclohexan-1-ol
CID 79422812
4-ethyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-ol
CID 104565820

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-chloroprop-2-enyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 2-[(E)-3-chloroprop-2-enyl]-4-ethylcyclohexan-1-ol (CID 107900942) is 2-[(E)-3-chloroprop-2-enyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-[(E)-3-chloroprop-2-enyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 2-[(E)-3-chloroprop-2-enyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)C(C/C=C/Cl)C1.
What is the InChIKey of 2-[(E)-3-chloroprop-2-enyl]-4-ethylcyclohexan-1-ol?
The InChIKey is JESLXLRUXCSISQ-XVNBXDOJSA-N. The full InChI is InChI=1S/C11H19ClO/c1-2-9-5-6-11(13)10(8-9)4-3-7-12/h3,7,9-11,13H,2,4-6,8H2,1H3/b7-3+.
What are the key properties of 2-[(E)-3-chloroprop-2-enyl]-4-ethylcyclohexan-1-ol?
2-[(E)-3-chloroprop-2-enyl]-4-ethylcyclohexan-1-ol has a molecular weight of 202.72 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-chloroprop-2-enyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 107900942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).