(6Z,9Z)-1-bromopentadeca-6,9-diene

C15H27Br — CID 135359087

IUPAC(6Z,9Z)-1-bromopentadeca-6,9-diene
SMILESCCCCC/C=C\C/C=C\CCCCCBr
InChIInChI=1S/C15H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h6-7,9-10H,2-5,8,11-15H2,1H3/b7-6-,10-9-
InChIKeyGGHBDHVSNNHVJQ-HZJYTTRNSA-N
MW287.28 g/mol
LogP6.02
Rot. Bonds11

About (6Z,9Z)-1-bromopentadeca-6,9-diene

(6Z,9Z)-1-bromopentadeca-6,9-diene (PubChem CID 135359087) has the molecular formula C15H27Br and a molecular weight of 287.28 g/mol. Its IUPAC name is (6Z,9Z)-1-bromopentadeca-6,9-diene.

Molecular Properties

Compound Name(6Z,9Z)-1-bromopentadeca-6,9-diene
PubChem CID135359087
Molecular FormulaC15H27Br
Molecular Weight287.28 g/mol
Exact Mass286.13
IUPAC Name(6Z,9Z)-1-bromopentadeca-6,9-diene
SMILESCCCCC/C=C\C/C=C\CCCCCBr
InChIInChI=1S/C15H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h6-7,9-10H,2-5,8,11-15H2,1H3/b7-6-,10-9-
InChIKeyGGHBDHVSNNHVJQ-HZJYTTRNSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6Z,9Z)-18-bromooctadeca-6,9-diene;ethane
CID 143991975
(5Z,8Z)-1-bromotetradeca-5,8-diene
CID 11482688
(5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane
CID 144695117
(Z)-1-bromotetradec-6-ene
CID 58641109
(E)-18-bromooctadec-6-ene
CID 10711567
(E)-1-bromoundec-5-ene
CID 13044969
(E)-15-bromopentadec-5-ene
CID 14309355
(Z)-16-bromohexadec-5-ene
CID 11645149
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
(7E,9E)-18-bromooctadeca-7,9-diene
CID 14606014

Frequently Asked Questions

What is the IUPAC name of (6Z,9Z)-1-bromopentadeca-6,9-diene?
The IUPAC name of (6Z,9Z)-1-bromopentadeca-6,9-diene (CID 135359087) is (6Z,9Z)-1-bromopentadeca-6,9-diene.
What is the SMILES notation for (6Z,9Z)-1-bromopentadeca-6,9-diene?
The canonical SMILES for (6Z,9Z)-1-bromopentadeca-6,9-diene is CCCCC/C=C\C/C=C\CCCCCBr.
What is the InChIKey of (6Z,9Z)-1-bromopentadeca-6,9-diene?
The InChIKey is GGHBDHVSNNHVJQ-HZJYTTRNSA-N. The full InChI is InChI=1S/C15H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h6-7,9-10H,2-5,8,11-15H2,1H3/b7-6-,10-9-.
What are the key properties of (6Z,9Z)-1-bromopentadeca-6,9-diene?
(6Z,9Z)-1-bromopentadeca-6,9-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 (6Z,9Z)-1-bromopentadeca-6,9-diene is sourced from PubChem (CID 135359087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).