[(2E)-2-bromo-5,9-dimethyldeca-2,8-dienoxy]-tert-butyl-dimethylsilane

C18H35BrOSi — CID 138984604

IUPAC[(2E)-2-bromo-5,9-dimethyldeca-2,8-dienoxy]-tert-butyl-dimethylsilane
SMILESCC(C)=CCCC(C)C/C=C(/Br)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35BrOSi/c1-15(2)10-9-11-16(3)12-13-17(19)14-20-21(7,8)18(4,5)6/h10,13,16H,9,11-12,14H2,1-8H3/b17-13+
InChIKeyONDDYDPWONQIIR-GHRIWEEISA-N
MW375.47 g/mol
LogP7.06
Rot. Bonds8

About [(2E)-2-bromo-5,9-dimethyldeca-2,8-dienoxy]-tert-butyl-dimethylsilane

[(2E)-2-bromo-5,9-dimethyldeca-2,8-dienoxy]-tert-butyl-dimethylsilane (PubChem CID 138984604) has the molecular formula C18H35BrOSi and a molecular weight of 375.47 g/mol. Its IUPAC name is [(2E)-2-bromo-5,9-dimethyldeca-2,8-dienoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2E)-2-bromo-5,9-dimethyldeca-2,8-dienoxy]-tert-butyl-dimethylsilane
PubChem CID138984604
Molecular FormulaC18H35BrOSi
Molecular Weight375.47 g/mol
Exact Mass374.16
IUPAC Name[(2E)-2-bromo-5,9-dimethyldeca-2,8-dienoxy]-tert-butyl-dimethylsilane
SMILESCC(C)=CCCC(C)C/C=C(/Br)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35BrOSi/c1-15(2)10-9-11-16(3)12-13-17(19)14-20-21(7,8)18(4,5)6/h10,13,16H,9,11-12,14H2,1-8H3/b17-13+
InChIKeyONDDYDPWONQIIR-GHRIWEEISA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2E)-2-bromo-5,9-dimethyldeca-2,8-dienoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2E)-2-bromo-5,9-dimethyldeca-2,8-dienoxy]-tert-butyl-dimethylsilane (CID 138984604) is [(2E)-2-bromo-5,9-dimethyldeca-2,8-dienoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2E)-2-bromo-5,9-dimethyldeca-2,8-dienoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2E)-2-bromo-5,9-dimethyldeca-2,8-dienoxy]-tert-butyl-dimethylsilane is CC(C)=CCCC(C)C/C=C(/Br)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2E)-2-bromo-5,9-dimethyldeca-2,8-dienoxy]-tert-butyl-dimethylsilane?
The InChIKey is ONDDYDPWONQIIR-GHRIWEEISA-N. The full InChI is InChI=1S/C18H35BrOSi/c1-15(2)10-9-11-16(3)12-13-17(19)14-20-21(7,8)18(4,5)6/h10,13,16H,9,11-12,14H2,1-8H3/b17-13+.
What are the key properties of [(2E)-2-bromo-5,9-dimethyldeca-2,8-dienoxy]-tert-butyl-dimethylsilane?
[(2E)-2-bromo-5,9-dimethyldeca-2,8-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 [(2E)-2-bromo-5,9-dimethyldeca-2,8-dienoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 138984604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).