(7Z,10Z)-1-bromoicosa-3,4,7,10-tetraene

C20H33Br — CID 88698471

IUPAC(7Z,10Z)-1-bromoicosa-3,4,7,10-tetraene
SMILESCCCCCCCCC/C=C\C/C=C\CC=C=CCCBr
InChIInChI=1S/C20H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h10-11,13-14,16,18H,2-9,12,15,19-20H2,1H3/b11-10-,14-13-
InChIKeyJLDPUHHNTUXGAM-XVTLYKPTSA-N
MW353.39 g/mol
LogP7.52
Rot. Bonds14

About (7Z,10Z)-1-bromoicosa-3,4,7,10-tetraene

(7Z,10Z)-1-bromoicosa-3,4,7,10-tetraene (PubChem CID 88698471) has the molecular formula C20H33Br and a molecular weight of 353.39 g/mol. Its IUPAC name is (7Z,10Z)-1-bromoicosa-3,4,7,10-tetraene.

Molecular Properties

Compound Name(7Z,10Z)-1-bromoicosa-3,4,7,10-tetraene
PubChem CID88698471
Molecular FormulaC20H33Br
Molecular Weight353.39 g/mol
Exact Mass352.18
IUPAC Name(7Z,10Z)-1-bromoicosa-3,4,7,10-tetraene
SMILESCCCCCCCCC/C=C\C/C=C\CC=C=CCCBr
InChIInChI=1S/C20H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h10-11,13-14,16,18H,2-9,12,15,19-20H2,1H3/b11-10-,14-13-
InChIKeyJLDPUHHNTUXGAM-XVTLYKPTSA-N
XLogP7.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.39
LogP ≤ 57.52
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

heptatriaconta-15,18,19-triene
CID 57100861
(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
1-bromoundec-3-ene
CID 54069038
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane
CID 144695117
pentadeca-1,4,7-trien-1-one
CID 175346373
(8Z)-heptadeca-4,5,8-trienoic acid
CID 88698518
(2E,5E)-1-bromoundeca-2,5-diene
CID 13055613

Frequently Asked Questions

What is the IUPAC name of (7Z,10Z)-1-bromoicosa-3,4,7,10-tetraene?
The IUPAC name of (7Z,10Z)-1-bromoicosa-3,4,7,10-tetraene (CID 88698471) is (7Z,10Z)-1-bromoicosa-3,4,7,10-tetraene.
What is the SMILES notation for (7Z,10Z)-1-bromoicosa-3,4,7,10-tetraene?
The canonical SMILES for (7Z,10Z)-1-bromoicosa-3,4,7,10-tetraene is CCCCCCCCC/C=C\C/C=C\CC=C=CCCBr.
What is the InChIKey of (7Z,10Z)-1-bromoicosa-3,4,7,10-tetraene?
The InChIKey is JLDPUHHNTUXGAM-XVTLYKPTSA-N. The full InChI is InChI=1S/C20H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h10-11,13-14,16,18H,2-9,12,15,19-20H2,1H3/b11-10-,14-13-.
What are the key properties of (7Z,10Z)-1-bromoicosa-3,4,7,10-tetraene?
(7Z,10Z)-1-bromoicosa-3,4,7,10-tetraene has a molecular weight of 353.39 g/mol, XLogP of 7.52, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,10Z)-1-bromoicosa-3,4,7,10-tetraene is sourced from PubChem (CID 88698471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).