1,2,2-trimethylcyclopentane-1,3-dicarbonyl bromide

C10H14Br2O2 — CID 91003071

IUPAC1,2,2-trimethylcyclopentane-1,3-dicarbonyl bromide
SMILESCC1(C(=O)Br)CCC(C(=O)Br)C1(C)C
InChIInChI=1S/C10H14Br2O2/c1-9(2)6(7(11)13)4-5-10(9,3)8(12)14/h6H,4-5H2,1-3H3
InChIKeyKPDFWXBHXQSXLT-UHFFFAOYSA-N
MW326.03 g/mol
LogP3.27
Rot. Bonds2

About 1,2,2-trimethylcyclopentane-1,3-dicarbonyl bromide

1,2,2-trimethylcyclopentane-1,3-dicarbonyl bromide (PubChem CID 91003071) has the molecular formula C10H14Br2O2 and a molecular weight of 326.03 g/mol. Its IUPAC name is 1,2,2-trimethylcyclopentane-1,3-dicarbonyl bromide.

Molecular Properties

Compound Name1,2,2-trimethylcyclopentane-1,3-dicarbonyl bromide
PubChem CID91003071
Molecular FormulaC10H14Br2O2
Molecular Weight326.03 g/mol
Exact Mass323.94
IUPAC Name1,2,2-trimethylcyclopentane-1,3-dicarbonyl bromide
SMILESCC1(C(=O)Br)CCC(C(=O)Br)C1(C)C
InChIInChI=1S/C10H14Br2O2/c1-9(2)6(7(11)13)4-5-10(9,3)8(12)14/h6H,4-5H2,1-3H3
InChIKeyKPDFWXBHXQSXLT-UHFFFAOYSA-N
XLogP3.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.03
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethylcyclopentane-1,3-dicarbonyl bromide?
The IUPAC name of 1,2,2-trimethylcyclopentane-1,3-dicarbonyl bromide (CID 91003071) is 1,2,2-trimethylcyclopentane-1,3-dicarbonyl bromide.
What is the SMILES notation for 1,2,2-trimethylcyclopentane-1,3-dicarbonyl bromide?
The canonical SMILES for 1,2,2-trimethylcyclopentane-1,3-dicarbonyl bromide is CC1(C(=O)Br)CCC(C(=O)Br)C1(C)C.
What is the InChIKey of 1,2,2-trimethylcyclopentane-1,3-dicarbonyl bromide?
The InChIKey is KPDFWXBHXQSXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2O2/c1-9(2)6(7(11)13)4-5-10(9,3)8(12)14/h6H,4-5H2,1-3H3.
What are the key properties of 1,2,2-trimethylcyclopentane-1,3-dicarbonyl bromide?
1,2,2-trimethylcyclopentane-1,3-dicarbonyl bromide has a molecular weight of 326.03 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethylcyclopentane-1,3-dicarbonyl bromide is sourced from PubChem (CID 91003071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).