[(2R,3Z,5Z)-4-bromo-2,6-dimethyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane

C18H35BrOSi — CID 135008580

IUPAC[(2R,3Z,5Z)-4-bromo-2,6-dimethyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane
SMILESCCCC/C(C)=C\C(Br)=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35BrOSi/c1-9-10-11-15(2)12-17(19)13-16(3)14-20-21(7,8)18(4,5)6/h12-13,16H,9-11,14H2,1-8H3/b15-12-,17-13-/t16-/m1/s1
InChIKeyMBLFQEYOJZPBDN-SFLQOYARSA-N
MW375.47 g/mol
LogP7.06
Rot. Bonds8

About [(2R,3Z,5Z)-4-bromo-2,6-dimethyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane

[(2R,3Z,5Z)-4-bromo-2,6-dimethyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane (PubChem CID 135008580) has the molecular formula C18H35BrOSi and a molecular weight of 375.47 g/mol. Its IUPAC name is [(2R,3Z,5Z)-4-bromo-2,6-dimethyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3Z,5Z)-4-bromo-2,6-dimethyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane
PubChem CID135008580
Molecular FormulaC18H35BrOSi
Molecular Weight375.47 g/mol
Exact Mass374.16
IUPAC Name[(2R,3Z,5Z)-4-bromo-2,6-dimethyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane
SMILESCCCC/C(C)=C\C(Br)=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35BrOSi/c1-9-10-11-15(2)12-17(19)13-16(3)14-20-21(7,8)18(4,5)6/h12-13,16H,9-11,14H2,1-8H3/b15-12-,17-13-/t16-/m1/s1
InChIKeyMBLFQEYOJZPBDN-SFLQOYARSA-N
XLogP7.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2R,3E,5E)-2,4-dimethyldeca-3,5-dienoxy]-dimethylsilane
CID 11208696
[(2R,3Z,5E)-4-bromo-2-methyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 11325899
[(2R,3Z,5Z)-4-bromo-2-methyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 12118841
tert-butyl-[(2R,3Z,5E)-2,4-dimethyldeca-3,5-dienoxy]-dimethylsilane
CID 101267045
[(2R,3Z,5E)-4-bromo-2-methyldodeca-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 101267046
[(2E,4Z)-4-bromoundeca-2,4-dienoxy]-tert-butyl-dimethylsilane
CID 101267050
[(2R,3Z)-4-bromo-2-methylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 101267055
[(2R,3Z,5E)-4-bromo-5-ethyl-2-methylocta-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 101267057
tert-butyl-[(2R,3E,5Z)-2,4-dimethyldeca-3,5-dienoxy]-dimethylsilane
CID 101732974
tert-butyl-[(2S,3Z,5E)-2,4-dimethyldodeca-3,5-dienoxy]-dimethylsilane
CID 134982102
tert-butyl-[(2S,3E,5E)-2,4-dimethyldodeca-3,5-dienoxy]-dimethylsilane
CID 134982103
Tert-butyl-[(3-butyl-4-ethylcyclopenta-2,4-dien-1-yl)methoxy]-dimethylsilane
CID 134982642

Frequently Asked Questions

What is the IUPAC name of [(2R,3Z,5Z)-4-bromo-2,6-dimethyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3Z,5Z)-4-bromo-2,6-dimethyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane (CID 135008580) is [(2R,3Z,5Z)-4-bromo-2,6-dimethyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3Z,5Z)-4-bromo-2,6-dimethyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3Z,5Z)-4-bromo-2,6-dimethyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane is CCCC/C(C)=C\C(Br)=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3Z,5Z)-4-bromo-2,6-dimethyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane?
The InChIKey is MBLFQEYOJZPBDN-SFLQOYARSA-N. The full InChI is InChI=1S/C18H35BrOSi/c1-9-10-11-15(2)12-17(19)13-16(3)14-20-21(7,8)18(4,5)6/h12-13,16H,9-11,14H2,1-8H3/b15-12-,17-13-/t16-/m1/s1.
What are the key properties of [(2R,3Z,5Z)-4-bromo-2,6-dimethyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane?
[(2R,3Z,5Z)-4-bromo-2,6-dimethyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane has a molecular weight of 375.47 g/mol, XLogP of 7.06, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3Z,5Z)-4-bromo-2,6-dimethyldeca-3,5-dienoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 135008580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).