bis[2-(bromomethyl)-1-methylcyclopentyl]methanone

C15H24Br2O — CID 142644678

IUPACbis[2-(bromomethyl)-1-methylcyclopentyl]methanone
SMILESCC1(C(=O)C2(C)CCCC2CBr)CCCC1CBr
InChIInChI=1S/C15H24Br2O/c1-14(7-3-5-11(14)9-16)13(18)15(2)8-4-6-12(15)10-17/h11-12H,3-10H2,1-2H3
InChIKeyYFKJUAAEXNEUKL-UHFFFAOYSA-N
MW380.16 g/mol
LogP4.96
Rot. Bonds4

About bis[2-(bromomethyl)-1-methylcyclopentyl]methanone

bis[2-(bromomethyl)-1-methylcyclopentyl]methanone (PubChem CID 142644678) has the molecular formula C15H24Br2O and a molecular weight of 380.16 g/mol. Its IUPAC name is bis[2-(bromomethyl)-1-methylcyclopentyl]methanone.

Molecular Properties

Compound Namebis[2-(bromomethyl)-1-methylcyclopentyl]methanone
PubChem CID142644678
Molecular FormulaC15H24Br2O
Molecular Weight380.16 g/mol
Exact Mass378.02
IUPAC Namebis[2-(bromomethyl)-1-methylcyclopentyl]methanone
SMILESCC1(C(=O)C2(C)CCCC2CBr)CCCC1CBr
InChIInChI=1S/C15H24Br2O/c1-14(7-3-5-11(14)9-16)13(18)15(2)8-4-6-12(15)10-17/h11-12H,3-10H2,1-2H3
InChIKeyYFKJUAAEXNEUKL-UHFFFAOYSA-N
XLogP4.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.16
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis[2-(bromomethyl)-1-methylcyclohexyl]methanone
CID 67713362
(1R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 129318014
trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 55284582
1-(2-amino-1-methylcyclopentyl)octan-1-one
CID 116607169
propan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82762646
1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one
CID 116607171
trans-(1S,2S)-1-methyl-2-(nitromethyl)cyclopentane-1-carboxylic acid
CID 146629692
cis-(1S,3S)-3-(bromomethyl)-1,2,2-trimethylcyclopentane-1-carboxylate
CID 7053976
(2-amino-1-methylcyclopentyl)-cyclohexylmethanone
CID 116607149
(2S)-2-amino-1-methylcyclohexane-1-carboxylic acid
CID 67285208
2-amino-N-(3-ethylpentan-3-yl)-1-methylcyclopentane-1-carboxamide
CID 82767363
1-[(2-amino-1-methylcyclopentanecarbonyl)amino]cyclopropane-1-carboxylic acid
CID 82767722

Frequently Asked Questions

What is the IUPAC name of bis[2-(bromomethyl)-1-methylcyclopentyl]methanone?
The IUPAC name of bis[2-(bromomethyl)-1-methylcyclopentyl]methanone (CID 142644678) is bis[2-(bromomethyl)-1-methylcyclopentyl]methanone.
What is the SMILES notation for bis[2-(bromomethyl)-1-methylcyclopentyl]methanone?
The canonical SMILES for bis[2-(bromomethyl)-1-methylcyclopentyl]methanone is CC1(C(=O)C2(C)CCCC2CBr)CCCC1CBr.
What is the InChIKey of bis[2-(bromomethyl)-1-methylcyclopentyl]methanone?
The InChIKey is YFKJUAAEXNEUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Br2O/c1-14(7-3-5-11(14)9-16)13(18)15(2)8-4-6-12(15)10-17/h11-12H,3-10H2,1-2H3.
What are the key properties of bis[2-(bromomethyl)-1-methylcyclopentyl]methanone?
bis[2-(bromomethyl)-1-methylcyclopentyl]methanone has a molecular weight of 380.16 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(bromomethyl)-1-methylcyclopentyl]methanone is sourced from PubChem (CID 142644678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).