(7E,9E)-18-bromooctadeca-7,9-diene

C18H33Br — CID 14606014

IUPAC(7E,9E)-18-bromooctadeca-7,9-diene
SMILESCCCCCC/C=C/C=C/CCCCCCCCBr
InChIInChI=1S/C18H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h7-10H,2-6,11-18H2,1H3/b8-7+,10-9+
InChIKeyPFFSURNXSFUCFE-XBLVEGMJSA-N
MW329.37 g/mol
LogP7.19
Rot. Bonds14

About (7E,9E)-18-bromooctadeca-7,9-diene

(7E,9E)-18-bromooctadeca-7,9-diene (PubChem CID 14606014) has the molecular formula C18H33Br and a molecular weight of 329.37 g/mol. Its IUPAC name is (7E,9E)-18-bromooctadeca-7,9-diene.

Molecular Properties

Compound Name(7E,9E)-18-bromooctadeca-7,9-diene
PubChem CID14606014
Molecular FormulaC18H33Br
Molecular Weight329.37 g/mol
Exact Mass328.18
IUPAC Name(7E,9E)-18-bromooctadeca-7,9-diene
SMILESCCCCCC/C=C/C=C/CCCCCCCCBr
InChIInChI=1S/C18H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h7-10H,2-6,11-18H2,1H3/b8-7+,10-9+
InChIKeyPFFSURNXSFUCFE-XBLVEGMJSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.37
LogP ≤ 57.19
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
(5Z,7E)-15-bromopentadeca-5,7-diene
CID 146189436
(Z)-1-bromotetradec-6-ene
CID 58641109
(E)-18-bromooctadec-6-ene
CID 10711567
(E)-1-bromoundec-5-ene
CID 13044969
(22E)-heptatetraconta-22,24-diene
CID 56629131
1-bromooctadeca-2,4-diene
CID 139683748
(E)-15-bromopentadec-5-ene
CID 14309355
(Z)-16-bromohexadec-5-ene
CID 11645149
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(6Z,9Z)-18-bromooctadeca-6,9-diene;ethane
CID 143991975

Frequently Asked Questions

What is the IUPAC name of (7E,9E)-18-bromooctadeca-7,9-diene?
The IUPAC name of (7E,9E)-18-bromooctadeca-7,9-diene (CID 14606014) is (7E,9E)-18-bromooctadeca-7,9-diene.
What is the SMILES notation for (7E,9E)-18-bromooctadeca-7,9-diene?
The canonical SMILES for (7E,9E)-18-bromooctadeca-7,9-diene is CCCCCC/C=C/C=C/CCCCCCCCBr.
What is the InChIKey of (7E,9E)-18-bromooctadeca-7,9-diene?
The InChIKey is PFFSURNXSFUCFE-XBLVEGMJSA-N. The full InChI is InChI=1S/C18H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h7-10H,2-6,11-18H2,1H3/b8-7+,10-9+.
What are the key properties of (7E,9E)-18-bromooctadeca-7,9-diene?
(7E,9E)-18-bromooctadeca-7,9-diene has a molecular weight of 329.37 g/mol, XLogP of 7.19, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,9E)-18-bromooctadeca-7,9-diene is sourced from PubChem (CID 14606014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).