1-bromo-3,7,10,11-tetramethyldodeca-2,6,10-triene

C16H27Br — CID 54124836

IUPAC1-bromo-3,7,10,11-tetramethyldodeca-2,6,10-triene
SMILESCC(=CCBr)CCC=C(C)CCC(C)=C(C)C
InChIInChI=1S/C16H27Br/c1-13(2)16(5)10-9-14(3)7-6-8-15(4)11-12-17/h7,11H,6,8-10,12H2,1-5H3
InChIKeyNQFDQRKMNAEWTI-UHFFFAOYSA-N
MW299.30 g/mol
LogP6.19
Rot. Bonds7

About 1-bromo-3,7,10,11-tetramethyldodeca-2,6,10-triene

1-bromo-3,7,10,11-tetramethyldodeca-2,6,10-triene (PubChem CID 54124836) has the molecular formula C16H27Br and a molecular weight of 299.30 g/mol. Its IUPAC name is 1-bromo-3,7,10,11-tetramethyldodeca-2,6,10-triene.

Molecular Properties

Compound Name1-bromo-3,7,10,11-tetramethyldodeca-2,6,10-triene
PubChem CID54124836
Molecular FormulaC16H27Br
Molecular Weight299.30 g/mol
Exact Mass298.13
IUPAC Name1-bromo-3,7,10,11-tetramethyldodeca-2,6,10-triene
SMILESCC(=CCBr)CCC=C(C)CCC(C)=C(C)C
InChIInChI=1S/C16H27Br/c1-13(2)16(5)10-9-14(3)7-6-8-15(4)11-12-17/h7,11H,6,8-10,12H2,1-5H3
InChIKeyNQFDQRKMNAEWTI-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.30
LogP ≤ 56.19
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

(6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene
CID 88841659
(3S)-3-[(3E,7E,11E)-13-bromo-3,7,11-trimethyltrideca-3,7,11-trienyl]-2,2-dimethyloxirane
CID 11783576
3-[(3E,7E,11E)-13-bromo-3,7,11-trimethyltrideca-3,7,11-trienyl]-2,2-dimethyloxirane
CID 168749328
methyl 8-bromo-2,6-dimethylocta-2,6-dienoate
CID 76842372
ethyl (6E,10E)-12-bromo-2,6,10-trimethyl-3-oxododeca-6,10-dienoate
CID 23584812
(2Z,6Z)-1-bromo-7-methylnona-2,6-diene-3-thiol
CID 88907143
ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene
CID 145317511
7-bromo-1,1,2-trichloro-5-methylhepta-1,5-diene
CID 54152054
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,7,10,11-tetramethyldodeca-2,6,10-triene?
The IUPAC name of 1-bromo-3,7,10,11-tetramethyldodeca-2,6,10-triene (CID 54124836) is 1-bromo-3,7,10,11-tetramethyldodeca-2,6,10-triene.
What is the SMILES notation for 1-bromo-3,7,10,11-tetramethyldodeca-2,6,10-triene?
The canonical SMILES for 1-bromo-3,7,10,11-tetramethyldodeca-2,6,10-triene is CC(=CCBr)CCC=C(C)CCC(C)=C(C)C.
What is the InChIKey of 1-bromo-3,7,10,11-tetramethyldodeca-2,6,10-triene?
The InChIKey is NQFDQRKMNAEWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27Br/c1-13(2)16(5)10-9-14(3)7-6-8-15(4)11-12-17/h7,11H,6,8-10,12H2,1-5H3.
What are the key properties of 1-bromo-3,7,10,11-tetramethyldodeca-2,6,10-triene?
1-bromo-3,7,10,11-tetramethyldodeca-2,6,10-triene has a molecular weight of 299.30 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,7,10,11-tetramethyldodeca-2,6,10-triene is sourced from PubChem (CID 54124836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).