(3E)-3-(bromomethyl)cyclodec-3-en-1-one

C11H17BrO — CID 10800373

IUPAC(3E)-3-(bromomethyl)cyclodec-3-en-1-one
SMILESO=C1CCCCCC/C=C(/CBr)C1
InChIInChI=1S/C11H17BrO/c12-9-10-6-4-2-1-3-5-7-11(13)8-10/h6H,1-5,7-9H2/b10-6+
InChIKeyPIKPQOSHSRLSCT-UXBLZVDNSA-N
MW245.16 g/mol
LogP3.62
Rot. Bonds1

About (3E)-3-(bromomethyl)cyclodec-3-en-1-one

(3E)-3-(bromomethyl)cyclodec-3-en-1-one (PubChem CID 10800373) has the molecular formula C11H17BrO and a molecular weight of 245.16 g/mol. Its IUPAC name is (3E)-3-(bromomethyl)cyclodec-3-en-1-one.

Molecular Properties

Compound Name(3E)-3-(bromomethyl)cyclodec-3-en-1-one
PubChem CID10800373
Molecular FormulaC11H17BrO
Molecular Weight245.16 g/mol
Exact Mass244.05
IUPAC Name(3E)-3-(bromomethyl)cyclodec-3-en-1-one
SMILESO=C1CCCCCC/C=C(/CBr)C1
InChIInChI=1S/C11H17BrO/c12-9-10-6-4-2-1-3-5-7-11(13)8-10/h6H,1-5,7-9H2/b10-6+
InChIKeyPIKPQOSHSRLSCT-UXBLZVDNSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 53.62
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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cycloheptane-1,3-dione
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cyclohexanone;cyclohexene
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(10Z)-cycloicos-10-en-1-one
CID 11254844
cyclododecen-1-ylmethanol
CID 70464862
methyl 8-oxocyclononene-1-carboxylate
CID 131879237
(5E)-cycloheptadec-5-en-1-one
CID 13199934
cycloheptanone;cyclohexanone;cyclopentanone;ethane
CID 158721030
cyclotricosanone
CID 54375596
cyclododecanone
CID 141308130

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(bromomethyl)cyclodec-3-en-1-one?
The IUPAC name of (3E)-3-(bromomethyl)cyclodec-3-en-1-one (CID 10800373) is (3E)-3-(bromomethyl)cyclodec-3-en-1-one.
What is the SMILES notation for (3E)-3-(bromomethyl)cyclodec-3-en-1-one?
The canonical SMILES for (3E)-3-(bromomethyl)cyclodec-3-en-1-one is O=C1CCCCCC/C=C(/CBr)C1.
What is the InChIKey of (3E)-3-(bromomethyl)cyclodec-3-en-1-one?
The InChIKey is PIKPQOSHSRLSCT-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H17BrO/c12-9-10-6-4-2-1-3-5-7-11(13)8-10/h6H,1-5,7-9H2/b10-6+.
What are the key properties of (3E)-3-(bromomethyl)cyclodec-3-en-1-one?
(3E)-3-(bromomethyl)cyclodec-3-en-1-one has a molecular weight of 245.16 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(bromomethyl)cyclodec-3-en-1-one is sourced from PubChem (CID 10800373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).