(7Z,9E)-8-bromoheptadeca-7,9-diene

C17H31Br — CID 134932125

IUPAC(7Z,9E)-8-bromoheptadeca-7,9-diene
SMILESCCCCCC/C=C(Br)/C=C/CCCCCCC
InChIInChI=1S/C17H31Br/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h14-16H,3-13H2,1-2H3/b16-14+,17-15-
InChIKeyPYDBFOOEEFQVLB-GGTPAPDOSA-N
MW315.34 g/mol
LogP7.15
Rot. Bonds12

About (7Z,9E)-8-bromoheptadeca-7,9-diene

(7Z,9E)-8-bromoheptadeca-7,9-diene (PubChem CID 134932125) has the molecular formula C17H31Br and a molecular weight of 315.34 g/mol. Its IUPAC name is (7Z,9E)-8-bromoheptadeca-7,9-diene.

Molecular Properties

Compound Name(7Z,9E)-8-bromoheptadeca-7,9-diene
PubChem CID134932125
Molecular FormulaC17H31Br
Molecular Weight315.34 g/mol
Exact Mass314.16
IUPAC Name(7Z,9E)-8-bromoheptadeca-7,9-diene
SMILESCCCCCC/C=C(Br)/C=C/CCCCCCC
InChIInChI=1S/C17H31Br/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h14-16H,3-13H2,1-2H3/b16-14+,17-15-
InChIKeyPYDBFOOEEFQVLB-GGTPAPDOSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.34
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 140635573
1,1-dibromotridec-1-ene
CID 14681915
undec-2-enoic acid
CID 519180
(3E)-2-bromonona-1,3-diene
CID 10512335
icosa-2,12-dienoic acid
CID 174301675
bis(heptadec-2-enoic acid);zinc
CID 172555643
icosa-2,11-dienoic acid
CID 54537818
octadec-2-enoic acid;hydrochloride
CID 175477245
alumane;hexadec-2-enoic acid
CID 174818671
copper;heptadec-2-enoic acid
CID 174878538
(Z)-tridec-4-ene
CID 5362712
(Z)-tridec-6-ene;(Z)-undec-4-ene
CID 161365587

Frequently Asked Questions

What is the IUPAC name of (7Z,9E)-8-bromoheptadeca-7,9-diene?
The IUPAC name of (7Z,9E)-8-bromoheptadeca-7,9-diene (CID 134932125) is (7Z,9E)-8-bromoheptadeca-7,9-diene.
What is the SMILES notation for (7Z,9E)-8-bromoheptadeca-7,9-diene?
The canonical SMILES for (7Z,9E)-8-bromoheptadeca-7,9-diene is CCCCCC/C=C(Br)/C=C/CCCCCCC.
What is the InChIKey of (7Z,9E)-8-bromoheptadeca-7,9-diene?
The InChIKey is PYDBFOOEEFQVLB-GGTPAPDOSA-N. The full InChI is InChI=1S/C17H31Br/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h14-16H,3-13H2,1-2H3/b16-14+,17-15-.
What are the key properties of (7Z,9E)-8-bromoheptadeca-7,9-diene?
(7Z,9E)-8-bromoheptadeca-7,9-diene has a molecular weight of 315.34 g/mol, XLogP of 7.15, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9E)-8-bromoheptadeca-7,9-diene is sourced from PubChem (CID 134932125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).