(E)-1-cyclohexylpent-2-en-1-one

C11H18O — CID 88674755

IUPAC(E)-1-cyclohexylpent-2-en-1-one
SMILESCC/C=C/C(=O)C1CCCCC1
InChIInChI=1S/C11H18O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h3,9-10H,2,4-8H2,1H3/b9-3+
InChIKeyPHIHFFCCKISLIE-YCRREMRBSA-N
MW166.26 g/mol
LogP3.10
Rot. Bonds3

About (E)-1-cyclohexylpent-2-en-1-one

(E)-1-cyclohexylpent-2-en-1-one (PubChem CID 88674755) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (E)-1-cyclohexylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-1-cyclohexylpent-2-en-1-one
PubChem CID88674755
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(E)-1-cyclohexylpent-2-en-1-one
SMILESCC/C=C/C(=O)C1CCCCC1
InChIInChI=1S/C11H18O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h3,9-10H,2,4-8H2,1H3/b9-3+
InChIKeyPHIHFFCCKISLIE-YCRREMRBSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexylpent-2-en-1-one?
The IUPAC name of (E)-1-cyclohexylpent-2-en-1-one (CID 88674755) is (E)-1-cyclohexylpent-2-en-1-one.
What is the SMILES notation for (E)-1-cyclohexylpent-2-en-1-one?
The canonical SMILES for (E)-1-cyclohexylpent-2-en-1-one is CC/C=C/C(=O)C1CCCCC1.
What is the InChIKey of (E)-1-cyclohexylpent-2-en-1-one?
The InChIKey is PHIHFFCCKISLIE-YCRREMRBSA-N. The full InChI is InChI=1S/C11H18O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h3,9-10H,2,4-8H2,1H3/b9-3+.
What are the key properties of (E)-1-cyclohexylpent-2-en-1-one?
(E)-1-cyclohexylpent-2-en-1-one has a molecular weight of 166.26 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexylpent-2-en-1-one is sourced from PubChem (CID 88674755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).