(Z)-16-bromohexadec-5-ene

C16H31Br — CID 11645149

IUPAC(Z)-16-bromohexadec-5-ene
SMILESCCCC/C=C\CCCCCCCCCCBr
InChIInChI=1S/C16H31Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6H,2-4,7-16H2,1H3/b6-5-
InChIKeyWNNYMLABSXFVED-WAYWQWQTSA-N
MW303.33 g/mol
LogP6.64
Rot. Bonds13

About (Z)-16-bromohexadec-5-ene

(Z)-16-bromohexadec-5-ene (PubChem CID 11645149) has the molecular formula C16H31Br and a molecular weight of 303.33 g/mol. Its IUPAC name is (Z)-16-bromohexadec-5-ene.

Molecular Properties

Compound Name(Z)-16-bromohexadec-5-ene
PubChem CID11645149
Molecular FormulaC16H31Br
Molecular Weight303.33 g/mol
Exact Mass302.16
IUPAC Name(Z)-16-bromohexadec-5-ene
SMILESCCCC/C=C\CCCCCCCCCCBr
InChIInChI=1S/C16H31Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6H,2-4,7-16H2,1H3/b6-5-
InChIKeyWNNYMLABSXFVED-WAYWQWQTSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.33
LogP ≤ 56.64
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

(E)-15-bromopentadec-5-ene
CID 14309355
(Z)-1-bromotetradec-6-ene
CID 58641109
(E)-18-bromooctadec-6-ene
CID 10711567
(5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane
CID 144695117
(E)-1-bromoundec-5-ene
CID 13044969
(5Z,7E)-15-bromopentadeca-5,7-diene
CID 146189436
(5Z,7E)-21-bromohenicosa-5,7-diene
CID 146189402
(6Z,9Z)-18-bromooctadeca-6,9-diene;ethane
CID 143991975
(6Z,9Z)-1-bromopentadeca-6,9-diene
CID 135359087
1,25-dibromopentacos-12-ene
CID 168864699
(7E,9E)-18-bromooctadeca-7,9-diene
CID 14606014
(5Z,8Z)-1-bromotetradeca-5,8-diene
CID 11482688

Frequently Asked Questions

What is the IUPAC name of (Z)-16-bromohexadec-5-ene?
The IUPAC name of (Z)-16-bromohexadec-5-ene (CID 11645149) is (Z)-16-bromohexadec-5-ene.
What is the SMILES notation for (Z)-16-bromohexadec-5-ene?
The canonical SMILES for (Z)-16-bromohexadec-5-ene is CCCC/C=C\CCCCCCCCCCBr.
What is the InChIKey of (Z)-16-bromohexadec-5-ene?
The InChIKey is WNNYMLABSXFVED-WAYWQWQTSA-N. The full InChI is InChI=1S/C16H31Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6H,2-4,7-16H2,1H3/b6-5-.
What are the key properties of (Z)-16-bromohexadec-5-ene?
(Z)-16-bromohexadec-5-ene has a molecular weight of 303.33 g/mol, XLogP of 6.64, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-16-bromohexadec-5-ene is sourced from PubChem (CID 11645149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).