[(2Z,6Z,10E,14E)-17-bromo-7-fluoro-6,11,15-trimethylheptadeca-2,6,10,14-tetraenyl]-trimethylsilane

C23H40BrFSi — CID 10503419

IUPAC[(2Z,6Z,10E,14E)-17-bromo-7-fluoro-6,11,15-trimethylheptadeca-2,6,10,14-tetraenyl]-trimethylsilane
SMILESC/C(CC/C=C\C[Si](C)(C)C)=C(/F)CC/C=C(\C)CC/C=C(\C)CCBr
InChIInChI=1S/C23H40BrFSi/c1-20(12-10-13-21(2)17-18-24)14-11-16-23(25)22(3)15-8-7-9-19-26(4,5)6/h7,9,13-14H,8,10-12,15-19H2,1-6H3/b9-7-,20-14+,21-13+,23-22-
InChIKeyWGYVRKPVEQGIIX-AAMXRDCXSA-N
MW443.56 g/mol
LogP9.14
Rot. Bonds13

About [(2Z,6Z,10E,14E)-17-bromo-7-fluoro-6,11,15-trimethylheptadeca-2,6,10,14-tetraenyl]-trimethylsilane

[(2Z,6Z,10E,14E)-17-bromo-7-fluoro-6,11,15-trimethylheptadeca-2,6,10,14-tetraenyl]-trimethylsilane (PubChem CID 10503419) has the molecular formula C23H40BrFSi and a molecular weight of 443.56 g/mol. Its IUPAC name is [(2Z,6Z,10E,14E)-17-bromo-7-fluoro-6,11,15-trimethylheptadeca-2,6,10,14-tetraenyl]-trimethylsilane.

Molecular Properties

Compound Name[(2Z,6Z,10E,14E)-17-bromo-7-fluoro-6,11,15-trimethylheptadeca-2,6,10,14-tetraenyl]-trimethylsilane
PubChem CID10503419
Molecular FormulaC23H40BrFSi
Molecular Weight443.56 g/mol
Exact Mass442.21
IUPAC Name[(2Z,6Z,10E,14E)-17-bromo-7-fluoro-6,11,15-trimethylheptadeca-2,6,10,14-tetraenyl]-trimethylsilane
SMILESC/C(CC/C=C\C[Si](C)(C)C)=C(/F)CC/C=C(\C)CC/C=C(\C)CCBr
InChIInChI=1S/C23H40BrFSi/c1-20(12-10-13-21(2)17-18-24)14-11-16-23(25)22(3)15-8-7-9-19-26(4,5)6/h7,9,13-14H,8,10-12,15-19H2,1-6H3/b9-7-,20-14+,21-13+,23-22-
InChIKeyWGYVRKPVEQGIIX-AAMXRDCXSA-N
XLogP9.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.56
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(2Z,6Z,10E)-13-bromo-7-fluoro-6,11-dimethyltrideca-2,6,10-trienyl]-trimethylsilane
CID 10667182
(1-Bromo-1-fluoro-4-methylpent-3-enyl)-tert-butyl-dimethylsilane
CID 15314727
[(2Z,6Z,10E)-7-fluoro-6,11-dimethyltrideca-2,6,10-trienyl]-trimethylsilane
CID 10661669
[(E,3S)-7-bromohept-4-en-3-yl]-tri(propan-2-yl)silane
CID 101058732

Frequently Asked Questions

What is the IUPAC name of [(2Z,6Z,10E,14E)-17-bromo-7-fluoro-6,11,15-trimethylheptadeca-2,6,10,14-tetraenyl]-trimethylsilane?
The IUPAC name of [(2Z,6Z,10E,14E)-17-bromo-7-fluoro-6,11,15-trimethylheptadeca-2,6,10,14-tetraenyl]-trimethylsilane (CID 10503419) is [(2Z,6Z,10E,14E)-17-bromo-7-fluoro-6,11,15-trimethylheptadeca-2,6,10,14-tetraenyl]-trimethylsilane.
What is the SMILES notation for [(2Z,6Z,10E,14E)-17-bromo-7-fluoro-6,11,15-trimethylheptadeca-2,6,10,14-tetraenyl]-trimethylsilane?
The canonical SMILES for [(2Z,6Z,10E,14E)-17-bromo-7-fluoro-6,11,15-trimethylheptadeca-2,6,10,14-tetraenyl]-trimethylsilane is C/C(CC/C=C\C[Si](C)(C)C)=C(/F)CC/C=C(\C)CC/C=C(\C)CCBr.
What is the InChIKey of [(2Z,6Z,10E,14E)-17-bromo-7-fluoro-6,11,15-trimethylheptadeca-2,6,10,14-tetraenyl]-trimethylsilane?
The InChIKey is WGYVRKPVEQGIIX-AAMXRDCXSA-N. The full InChI is InChI=1S/C23H40BrFSi/c1-20(12-10-13-21(2)17-18-24)14-11-16-23(25)22(3)15-8-7-9-19-26(4,5)6/h7,9,13-14H,8,10-12,15-19H2,1-6H3/b9-7-,20-14+,21-13+,23-22-.
What are the key properties of [(2Z,6Z,10E,14E)-17-bromo-7-fluoro-6,11,15-trimethylheptadeca-2,6,10,14-tetraenyl]-trimethylsilane?
[(2Z,6Z,10E,14E)-17-bromo-7-fluoro-6,11,15-trimethylheptadeca-2,6,10,14-tetraenyl]-trimethylsilane has a molecular weight of 443.56 g/mol, XLogP of 9.14, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,6Z,10E,14E)-17-bromo-7-fluoro-6,11,15-trimethylheptadeca-2,6,10,14-tetraenyl]-trimethylsilane is sourced from PubChem (CID 10503419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).