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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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).