(5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane

C21H43Br — CID 144695117

IUPAC(5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane
SMILESCC.CC.CCCC/C=C\C/C=C\CCCCCCCCBr
InChIInChI=1S/C17H31Br.2C2H6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;2*1-2/h5-6,8-9H,2-4,7,10-17H2,1H3;2*1-2H3/b6-5-,9-8-;;
InChIKeyUVNOBKJSGRJHMY-NSTLHHMOSA-N
MW375.48 g/mol
LogP8.86
Rot. Bonds13

About (5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane

(5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane (PubChem CID 144695117) has the molecular formula C21H43Br and a molecular weight of 375.48 g/mol. Its IUPAC name is (5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane.

Molecular Properties

Compound Name(5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane
PubChem CID144695117
Molecular FormulaC21H43Br
Molecular Weight375.48 g/mol
Exact Mass374.25
IUPAC Name(5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane
SMILESCC.CC.CCCC/C=C\C/C=C\CCCCCCCCBr
InChIInChI=1S/C17H31Br.2C2H6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;2*1-2/h5-6,8-9H,2-4,7,10-17H2,1H3;2*1-2H3/b6-5-,9-8-;;
InChIKeyUVNOBKJSGRJHMY-NSTLHHMOSA-N
XLogP8.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.48
LogP ≤ 58.86
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)-1-bromotetradeca-5,8-diene
CID 11482688
(Z)-16-bromohexadec-5-ene
CID 11645149
(E)-15-bromopentadec-5-ene
CID 14309355
(Z)-1-bromotetradec-6-ene
CID 58641109
(E)-18-bromooctadec-6-ene
CID 10711567
(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)-nonadeca-6,9-diene
CID 14701065
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane?
The IUPAC name of (5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane (CID 144695117) is (5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane.
What is the SMILES notation for (5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane?
The canonical SMILES for (5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane is CC.CC.CCCC/C=C\C/C=C\CCCCCCCCBr.
What is the InChIKey of (5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane?
The InChIKey is UVNOBKJSGRJHMY-NSTLHHMOSA-N. The full InChI is InChI=1S/C17H31Br.2C2H6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;2*1-2/h5-6,8-9H,2-4,7,10-17H2,1H3;2*1-2H3/b6-5-,9-8-;;.
What are the key properties of (5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane?
(5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane has a molecular weight of 375.48 g/mol, XLogP of 8.86, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane is sourced from PubChem (CID 144695117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).