3-bromopropyl (Z)-dec-3-enoate

C13H23BrO2 — CID 142498877

IUPAC3-bromopropyl (Z)-dec-3-enoate
SMILESCCCCCC/C=C\CC(=O)OCCCBr
InChIInChI=1S/C13H23BrO2/c1-2-3-4-5-6-7-8-10-13(15)16-12-9-11-14/h7-8H,2-6,9-12H2,1H3/b8-7-
InChIKeyJZSPONSVLSBKQD-FPLPWBNLSA-N
MW291.23 g/mol
LogP4.23
Rot. Bonds10

About 3-bromopropyl (Z)-dec-3-enoate

3-bromopropyl (Z)-dec-3-enoate (PubChem CID 142498877) has the molecular formula C13H23BrO2 and a molecular weight of 291.23 g/mol. Its IUPAC name is 3-bromopropyl (Z)-dec-3-enoate.

Molecular Properties

Compound Name3-bromopropyl (Z)-dec-3-enoate
PubChem CID142498877
Molecular FormulaC13H23BrO2
Molecular Weight291.23 g/mol
Exact Mass290.09
IUPAC Name3-bromopropyl (Z)-dec-3-enoate
SMILESCCCCCC/C=C\CC(=O)OCCCBr
InChIInChI=1S/C13H23BrO2/c1-2-3-4-5-6-7-8-10-13(15)16-12-9-11-14/h7-8H,2-6,9-12H2,1H3/b8-7-
InChIKeyJZSPONSVLSBKQD-FPLPWBNLSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromopropyl (Z)-dec-3-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromopropyl (Z)-dec-3-enoate?
The IUPAC name of 3-bromopropyl (Z)-dec-3-enoate (CID 142498877) is 3-bromopropyl (Z)-dec-3-enoate.
What is the SMILES notation for 3-bromopropyl (Z)-dec-3-enoate?
The canonical SMILES for 3-bromopropyl (Z)-dec-3-enoate is CCCCCC/C=C\CC(=O)OCCCBr.
What is the InChIKey of 3-bromopropyl (Z)-dec-3-enoate?
The InChIKey is JZSPONSVLSBKQD-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H23BrO2/c1-2-3-4-5-6-7-8-10-13(15)16-12-9-11-14/h7-8H,2-6,9-12H2,1H3/b8-7-.
What are the key properties of 3-bromopropyl (Z)-dec-3-enoate?
3-bromopropyl (Z)-dec-3-enoate has a molecular weight of 291.23 g/mol, XLogP of 4.23, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropyl (Z)-dec-3-enoate is sourced from PubChem (CID 142498877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).