(5Z,7E)-15-bromopentadeca-5,7-diene

C15H27Br — CID 146189436

IUPAC(5Z,7E)-15-bromopentadeca-5,7-diene
SMILESCCCC/C=C\C=C\CCCCCCCBr
InChIInChI=1S/C15H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-8H,2-4,9-15H2,1H3/b6-5-,8-7+
InChIKeyWAGNDOWEGQESOS-IGTJQSIKSA-N
MW287.28 g/mol
LogP6.02
Rot. Bonds11

About (5Z,7E)-15-bromopentadeca-5,7-diene

(5Z,7E)-15-bromopentadeca-5,7-diene (PubChem CID 146189436) has the molecular formula C15H27Br and a molecular weight of 287.28 g/mol. Its IUPAC name is (5Z,7E)-15-bromopentadeca-5,7-diene.

Molecular Properties

Compound Name(5Z,7E)-15-bromopentadeca-5,7-diene
PubChem CID146189436
Molecular FormulaC15H27Br
Molecular Weight287.28 g/mol
Exact Mass286.13
IUPAC Name(5Z,7E)-15-bromopentadeca-5,7-diene
SMILESCCCC/C=C\C=C\CCCCCCCBr
InChIInChI=1S/C15H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-8H,2-4,9-15H2,1H3/b6-5-,8-7+
InChIKeyWAGNDOWEGQESOS-IGTJQSIKSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.28
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(5Z,7E)-21-bromohenicosa-5,7-diene
CID 146189402
(7E,9E)-18-bromooctadeca-7,9-diene
CID 14606014
(Z)-16-bromohexadec-5-ene
CID 11645149
(E)-15-bromopentadec-5-ene
CID 14309355
(Z)-1-bromotetradec-6-ene
CID 58641109
(E)-18-bromooctadec-6-ene
CID 10711567
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane
CID 144695117
(E)-1-bromoundec-5-ene
CID 13044969
(22E)-heptatetraconta-22,24-diene
CID 56629131
11-bromoundeca-2,4-diene
CID 168861580

Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-15-bromopentadeca-5,7-diene?
The IUPAC name of (5Z,7E)-15-bromopentadeca-5,7-diene (CID 146189436) is (5Z,7E)-15-bromopentadeca-5,7-diene.
What is the SMILES notation for (5Z,7E)-15-bromopentadeca-5,7-diene?
The canonical SMILES for (5Z,7E)-15-bromopentadeca-5,7-diene is CCCC/C=C\C=C\CCCCCCCBr.
What is the InChIKey of (5Z,7E)-15-bromopentadeca-5,7-diene?
The InChIKey is WAGNDOWEGQESOS-IGTJQSIKSA-N. The full InChI is InChI=1S/C15H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-8H,2-4,9-15H2,1H3/b6-5-,8-7+.
What are the key properties of (5Z,7E)-15-bromopentadeca-5,7-diene?
(5Z,7E)-15-bromopentadeca-5,7-diene has a molecular weight of 287.28 g/mol, XLogP of 6.02, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-15-bromopentadeca-5,7-diene is sourced from PubChem (CID 146189436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).