4-bromo-1-cyclohexylbutan-1-one;ethene

C12H21BrO — CID 20509826

IUPAC4-bromo-1-cyclohexylbutan-1-one;ethene
SMILESC=C.O=C(CCCBr)C1CCCCC1
InChIInChI=1S/C10H17BrO.C2H4/c11-8-4-7-10(12)9-5-2-1-3-6-9;1-2/h9H,1-8H2;1-2H2
InChIKeyUSMSUIPSNDODAZ-UHFFFAOYSA-N
MW261.20 g/mol
LogP4.11
Rot. Bonds4

About 4-bromo-1-cyclohexylbutan-1-one;ethene

4-bromo-1-cyclohexylbutan-1-one;ethene (PubChem CID 20509826) has the molecular formula C12H21BrO and a molecular weight of 261.20 g/mol. Its IUPAC name is 4-bromo-1-cyclohexylbutan-1-one;ethene.

Molecular Properties

Compound Name4-bromo-1-cyclohexylbutan-1-one;ethene
PubChem CID20509826
Molecular FormulaC12H21BrO
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name4-bromo-1-cyclohexylbutan-1-one;ethene
SMILESC=C.O=C(CCCBr)C1CCCCC1
InChIInChI=1S/C10H17BrO.C2H4/c11-8-4-7-10(12)9-5-2-1-3-6-9;1-2/h9H,1-8H2;1-2H2
InChIKeyUSMSUIPSNDODAZ-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclohexylbutan-1-one;ethene?
The IUPAC name of 4-bromo-1-cyclohexylbutan-1-one;ethene (CID 20509826) is 4-bromo-1-cyclohexylbutan-1-one;ethene.
What is the SMILES notation for 4-bromo-1-cyclohexylbutan-1-one;ethene?
The canonical SMILES for 4-bromo-1-cyclohexylbutan-1-one;ethene is C=C.O=C(CCCBr)C1CCCCC1.
What is the InChIKey of 4-bromo-1-cyclohexylbutan-1-one;ethene?
The InChIKey is USMSUIPSNDODAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO.C2H4/c11-8-4-7-10(12)9-5-2-1-3-6-9;1-2/h9H,1-8H2;1-2H2.
What are the key properties of 4-bromo-1-cyclohexylbutan-1-one;ethene?
4-bromo-1-cyclohexylbutan-1-one;ethene has a molecular weight of 261.20 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclohexylbutan-1-one;ethene is sourced from PubChem (CID 20509826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).