(E)-1-cyclohexyl-2-ethylbut-2-en-1-one

C12H20O — CID 24977366

IUPAC(E)-1-cyclohexyl-2-ethylbut-2-en-1-one
SMILESC/C=C(\CC)C(=O)C1CCCCC1
InChIInChI=1S/C12H20O/c1-3-10(4-2)12(13)11-8-6-5-7-9-11/h3,11H,4-9H2,1-2H3/b10-3+
InChIKeyIZZWWKKUMMTOCK-XCVCLJGOSA-N
MW180.29 g/mol
LogP3.49
Rot. Bonds3

About (E)-1-cyclohexyl-2-ethylbut-2-en-1-one

(E)-1-cyclohexyl-2-ethylbut-2-en-1-one (PubChem CID 24977366) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (E)-1-cyclohexyl-2-ethylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-1-cyclohexyl-2-ethylbut-2-en-1-one
PubChem CID24977366
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(E)-1-cyclohexyl-2-ethylbut-2-en-1-one
SMILESC/C=C(\CC)C(=O)C1CCCCC1
InChIInChI=1S/C12H20O/c1-3-10(4-2)12(13)11-8-6-5-7-9-11/h3,11H,4-9H2,1-2H3/b10-3+
InChIKeyIZZWWKKUMMTOCK-XCVCLJGOSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.49
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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Related Compounds

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(Z)-1-cyclohexyl-2-diethoxyphosphorylbut-2-en-1-one
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Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexyl-2-ethylbut-2-en-1-one?
The IUPAC name of (E)-1-cyclohexyl-2-ethylbut-2-en-1-one (CID 24977366) is (E)-1-cyclohexyl-2-ethylbut-2-en-1-one.
What is the SMILES notation for (E)-1-cyclohexyl-2-ethylbut-2-en-1-one?
The canonical SMILES for (E)-1-cyclohexyl-2-ethylbut-2-en-1-one is C/C=C(\CC)C(=O)C1CCCCC1.
What is the InChIKey of (E)-1-cyclohexyl-2-ethylbut-2-en-1-one?
The InChIKey is IZZWWKKUMMTOCK-XCVCLJGOSA-N. The full InChI is InChI=1S/C12H20O/c1-3-10(4-2)12(13)11-8-6-5-7-9-11/h3,11H,4-9H2,1-2H3/b10-3+.
What are the key properties of (E)-1-cyclohexyl-2-ethylbut-2-en-1-one?
(E)-1-cyclohexyl-2-ethylbut-2-en-1-one has a molecular weight of 180.29 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexyl-2-ethylbut-2-en-1-one is sourced from PubChem (CID 24977366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).