(5Z,8Z)-1-bromotetradeca-5,8-diene

C14H25Br — CID 11482688

IUPAC(5Z,8Z)-1-bromotetradeca-5,8-diene
SMILESCCCCC/C=C\C/C=C\CCCCBr
InChIInChI=1S/C14H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h6-7,9-10H,2-5,8,11-14H2,1H3/b7-6-,10-9-
InChIKeyIBZSSGVWYYJWLJ-HZJYTTRNSA-N
MW273.26 g/mol
LogP5.63
Rot. Bonds10

About (5Z,8Z)-1-bromotetradeca-5,8-diene

(5Z,8Z)-1-bromotetradeca-5,8-diene (PubChem CID 11482688) has the molecular formula C14H25Br and a molecular weight of 273.26 g/mol. Its IUPAC name is (5Z,8Z)-1-bromotetradeca-5,8-diene.

Molecular Properties

Compound Name(5Z,8Z)-1-bromotetradeca-5,8-diene
PubChem CID11482688
Molecular FormulaC14H25Br
Molecular Weight273.26 g/mol
Exact Mass272.11
IUPAC Name(5Z,8Z)-1-bromotetradeca-5,8-diene
SMILESCCCCC/C=C\C/C=C\CCCCBr
InChIInChI=1S/C14H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h6-7,9-10H,2-5,8,11-14H2,1H3/b7-6-,10-9-
InChIKeyIBZSSGVWYYJWLJ-HZJYTTRNSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.26
LogP ≤ 55.63
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
(6Z,9Z)-1-bromopentadeca-6,9-diene
CID 135359087
(5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane
CID 144695117
(E)-1-bromoundec-5-ene
CID 13044969
(Z)-1-bromotetradec-6-ene
CID 58641109
(E)-18-bromooctadec-6-ene
CID 10711567
(2E,5E)-1-bromoundeca-2,5-diene
CID 13055613
(Z)-16-bromohexadec-5-ene
CID 11645149
(E)-15-bromopentadec-5-ene
CID 14309355
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
heptadeca-5,8,11-triene
CID 54101473
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z)-1-bromotetradeca-5,8-diene?
The IUPAC name of (5Z,8Z)-1-bromotetradeca-5,8-diene (CID 11482688) is (5Z,8Z)-1-bromotetradeca-5,8-diene.
What is the SMILES notation for (5Z,8Z)-1-bromotetradeca-5,8-diene?
The canonical SMILES for (5Z,8Z)-1-bromotetradeca-5,8-diene is CCCCC/C=C\C/C=C\CCCCBr.
What is the InChIKey of (5Z,8Z)-1-bromotetradeca-5,8-diene?
The InChIKey is IBZSSGVWYYJWLJ-HZJYTTRNSA-N. The full InChI is InChI=1S/C14H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h6-7,9-10H,2-5,8,11-14H2,1H3/b7-6-,10-9-.
What are the key properties of (5Z,8Z)-1-bromotetradeca-5,8-diene?
(5Z,8Z)-1-bromotetradeca-5,8-diene has a molecular weight of 273.26 g/mol, XLogP of 5.63, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z)-1-bromotetradeca-5,8-diene is sourced from PubChem (CID 11482688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).