8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene

C20H33Br — CID 54461369

IUPAC8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
SMILESCC(C)=CCCC(C)=CCC(Br)C=C(C)CCC=C(C)C
InChIInChI=1S/C20H33Br/c1-16(2)9-7-11-18(5)13-14-20(21)15-19(6)12-8-10-17(3)4/h9-10,13,15,20H,7-8,11-12,14H2,1-6H3
InChIKeyXBVSRZUOCYTXRB-UHFFFAOYSA-N
MW353.39 g/mol
LogP7.53
Rot. Bonds9

About 8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene

8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene (PubChem CID 54461369) has the molecular formula C20H33Br and a molecular weight of 353.39 g/mol. Its IUPAC name is 8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene.

Molecular Properties

Compound Name8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
PubChem CID54461369
Molecular FormulaC20H33Br
Molecular Weight353.39 g/mol
Exact Mass352.18
IUPAC Name8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
SMILESCC(C)=CCCC(C)=CCC(Br)C=C(C)CCC=C(C)C
InChIInChI=1S/C20H33Br/c1-16(2)9-7-11-18(5)13-14-20(21)15-19(6)12-8-10-17(3)4/h9-10,13,15,20H,7-8,11-12,14H2,1-6H3
InChIKeyXBVSRZUOCYTXRB-UHFFFAOYSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.39
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
CID 140692996
(4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol
CID 10890690
5,9,13-trimethyl-2-(2,6,10-trimethylundeca-1,5,9-trienyl)tetradeca-4,8,12-trienoic acid
CID 54509422
(6E)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-7,11-dimethyldodeca-6,10-dien-2-ol
CID 87169768
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6E)-8-ethyl-2,6-dimethyldeca-2,6-diene
CID 174724877
3-(2,6-dimethylhepta-1,5-dienyl)-6,10-dimethylundeca-5,9-dienoyl chloride
CID 57090053

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene?
The IUPAC name of 8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene (CID 54461369) is 8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene.
What is the SMILES notation for 8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene?
The canonical SMILES for 8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene is CC(C)=CCCC(C)=CCC(Br)C=C(C)CCC=C(C)C.
What is the InChIKey of 8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene?
The InChIKey is XBVSRZUOCYTXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33Br/c1-16(2)9-7-11-18(5)13-14-20(21)15-19(6)12-8-10-17(3)4/h9-10,13,15,20H,7-8,11-12,14H2,1-6H3.
What are the key properties of 8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene?
8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene has a molecular weight of 353.39 g/mol, XLogP of 7.53, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene is sourced from PubChem (CID 54461369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).