10-bromodec-8-yn-4-one

C10H15BrO — CID 20765013

IUPAC10-bromodec-8-yn-4-one
SMILESCCCC(=O)CCCC#CCBr
InChIInChI=1S/C10H15BrO/c1-2-7-10(12)8-5-3-4-6-9-11/h2-3,5,7-9H2,1H3
InChIKeyUOAJGKFEDKNVJQ-UHFFFAOYSA-N
MW231.13 g/mol
LogP2.92
Rot. Bonds5

About 10-bromodec-8-yn-4-one

10-bromodec-8-yn-4-one (PubChem CID 20765013) has the molecular formula C10H15BrO and a molecular weight of 231.13 g/mol. Its IUPAC name is 10-bromodec-8-yn-4-one.

Molecular Properties

Compound Name10-bromodec-8-yn-4-one
PubChem CID20765013
Molecular FormulaC10H15BrO
Molecular Weight231.13 g/mol
Exact Mass230.03
IUPAC Name10-bromodec-8-yn-4-one
SMILESCCCC(=O)CCCC#CCBr
InChIInChI=1S/C10H15BrO/c1-2-7-10(12)8-5-3-4-6-9-11/h2-3,5,7-9H2,1H3
InChIKeyUOAJGKFEDKNVJQ-UHFFFAOYSA-N
XLogP2.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

undec-9-yn-4-one
CID 104811869
tridecane-4,10-dione
CID 158766358
1-bromodocos-2-yne
CID 172558886
8-bromooctan-4-one
CID 15442624
tridecane-4,9-dione
CID 166698782
methanol;octan-4-one
CID 174820687
icosane-4,15-dione
CID 123287171
octadecan-4-one
CID 551672
1-trimethylsilylundec-1-yn-6-one
CID 176819872
6-oxononanoic acid
CID 5282981
1-hydroxyundecane-3,8-dione
CID 134266398
methanamine;nonan-4-one
CID 174439685

Frequently Asked Questions

What is the IUPAC name of 10-bromodec-8-yn-4-one?
The IUPAC name of 10-bromodec-8-yn-4-one (CID 20765013) is 10-bromodec-8-yn-4-one.
What is the SMILES notation for 10-bromodec-8-yn-4-one?
The canonical SMILES for 10-bromodec-8-yn-4-one is CCCC(=O)CCCC#CCBr.
What is the InChIKey of 10-bromodec-8-yn-4-one?
The InChIKey is UOAJGKFEDKNVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO/c1-2-7-10(12)8-5-3-4-6-9-11/h2-3,5,7-9H2,1H3.
What are the key properties of 10-bromodec-8-yn-4-one?
10-bromodec-8-yn-4-one has a molecular weight of 231.13 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromodec-8-yn-4-one is sourced from PubChem (CID 20765013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).