(18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene

C22H33Br — CID 86759790

IUPAC(18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene
SMILESCCC=CCC=CCC=CCC=CCC=CC/C=C\CCCBr
InChIInChI=1S/C22H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-22H2,1H3/b4-3?,7-6?,10-9?,13-12?,16-15?,19-18-
InChIKeyAQJHAISMPGUJPD-GOTKOHCTSA-N
MW377.41 g/mol
LogP7.86
Rot. Bonds14

About (18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene

(18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene (PubChem CID 86759790) has the molecular formula C22H33Br and a molecular weight of 377.41 g/mol. Its IUPAC name is (18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene.

Molecular Properties

Compound Name(18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene
PubChem CID86759790
Molecular FormulaC22H33Br
Molecular Weight377.41 g/mol
Exact Mass376.18
IUPAC Name(18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene
SMILESCCC=CCC=CCC=CCC=CCC=CC/C=C\CCCBr
InChIInChI=1S/C22H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-22H2,1H3/b4-3?,7-6?,10-9?,13-12?,16-15?,19-18-
InChIKeyAQJHAISMPGUJPD-GOTKOHCTSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.41
LogP ≤ 57.86
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'}

Analyze (18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene with MolForge

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Related Compounds

(3Z,6Z)-1-bromonona-3,6-diene
CID 14077874
(E)-12-bromododec-3-ene
CID 20561604
(3Z,6Z,9Z,12Z,15Z,18Z)-28-bromooctacosa-3,6,9,12,15,18-hexaene;(10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaen-1-ol
CID 160855326
(5Z,8Z)-1-bromotetradeca-5,8-diene
CID 11482688
(3Z,5E)-9-bromonona-3,5-diene
CID 131242086
heptadeca-3,6,12-triene
CID 54220025
(5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane
CID 144695117
(6Z,9Z)-1-bromopentadeca-6,9-diene
CID 135359087
(6Z,9Z)-18-bromooctadeca-6,9-diene;ethane
CID 143991975
(4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol
CID 167993921
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719

Frequently Asked Questions

What is the IUPAC name of (18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene?
The IUPAC name of (18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene (CID 86759790) is (18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene.
What is the SMILES notation for (18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene?
The canonical SMILES for (18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene is CCC=CCC=CCC=CCC=CCC=CC/C=C\CCCBr.
What is the InChIKey of (18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene?
The InChIKey is AQJHAISMPGUJPD-GOTKOHCTSA-N. The full InChI is InChI=1S/C22H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-22H2,1H3/b4-3?,7-6?,10-9?,13-12?,16-15?,19-18-.
What are the key properties of (18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene?
(18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene has a molecular weight of 377.41 g/mol, XLogP of 7.86, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene is sourced from PubChem (CID 86759790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).