2-bromo-1-(1-bromocyclohexyl)-2-methylpropan-1-one

C10H16Br2O — CID 14141335

IUPAC2-bromo-1-(1-bromocyclohexyl)-2-methylpropan-1-one
SMILESCC(C)(Br)C(=O)C1(Br)CCCCC1
InChIInChI=1S/C10H16Br2O/c1-9(2,11)8(13)10(12)6-4-3-5-7-10/h3-7H2,1-2H3
InChIKeyLPXJKHDHLAWOIC-UHFFFAOYSA-N
MW312.05 g/mol
LogP3.83
Rot. Bonds2

About 2-bromo-1-(1-bromocyclohexyl)-2-methylpropan-1-one

2-bromo-1-(1-bromocyclohexyl)-2-methylpropan-1-one (PubChem CID 14141335) has the molecular formula C10H16Br2O and a molecular weight of 312.05 g/mol. Its IUPAC name is 2-bromo-1-(1-bromocyclohexyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-bromo-1-(1-bromocyclohexyl)-2-methylpropan-1-one
PubChem CID14141335
Molecular FormulaC10H16Br2O
Molecular Weight312.05 g/mol
Exact Mass309.96
IUPAC Name2-bromo-1-(1-bromocyclohexyl)-2-methylpropan-1-one
SMILESCC(C)(Br)C(=O)C1(Br)CCCCC1
InChIInChI=1S/C10H16Br2O/c1-9(2,11)8(13)10(12)6-4-3-5-7-10/h3-7H2,1-2H3
InChIKeyLPXJKHDHLAWOIC-UHFFFAOYSA-N
XLogP3.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.05
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(1-bromocyclohexyl)-2-methylpropan-1-one?
The IUPAC name of 2-bromo-1-(1-bromocyclohexyl)-2-methylpropan-1-one (CID 14141335) is 2-bromo-1-(1-bromocyclohexyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-bromo-1-(1-bromocyclohexyl)-2-methylpropan-1-one?
The canonical SMILES for 2-bromo-1-(1-bromocyclohexyl)-2-methylpropan-1-one is CC(C)(Br)C(=O)C1(Br)CCCCC1.
What is the InChIKey of 2-bromo-1-(1-bromocyclohexyl)-2-methylpropan-1-one?
The InChIKey is LPXJKHDHLAWOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br2O/c1-9(2,11)8(13)10(12)6-4-3-5-7-10/h3-7H2,1-2H3.
What are the key properties of 2-bromo-1-(1-bromocyclohexyl)-2-methylpropan-1-one?
2-bromo-1-(1-bromocyclohexyl)-2-methylpropan-1-one has a molecular weight of 312.05 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(1-bromocyclohexyl)-2-methylpropan-1-one is sourced from PubChem (CID 14141335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).