(1-bromo-1-cyclohexylidene-3,3-dimethylbutan-2-yl)oxy-trimethylsilane

C15H29BrOSi — CID 553693

IUPAC(1-bromo-1-cyclohexylidene-3,3-dimethylbutan-2-yl)oxy-trimethylsilane
SMILESCC(C)(C)C(O[Si](C)(C)C)C(Br)=C1CCCCC1
InChIInChI=1S/C15H29BrOSi/c1-15(2,3)14(17-18(4,5)6)13(16)12-10-8-7-9-11-12/h14H,7-11H2,1-6H3
InChIKeyCCNPUYFDCSSIOV-UHFFFAOYSA-N
MW333.39 g/mol
LogP5.87
Rot. Bonds3

About (1-bromo-1-cyclohexylidene-3,3-dimethylbutan-2-yl)oxy-trimethylsilane

(1-bromo-1-cyclohexylidene-3,3-dimethylbutan-2-yl)oxy-trimethylsilane (PubChem CID 553693) has the molecular formula C15H29BrOSi and a molecular weight of 333.39 g/mol. Its IUPAC name is (1-bromo-1-cyclohexylidene-3,3-dimethylbutan-2-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(1-bromo-1-cyclohexylidene-3,3-dimethylbutan-2-yl)oxy-trimethylsilane
PubChem CID553693
Molecular FormulaC15H29BrOSi
Molecular Weight333.39 g/mol
Exact Mass332.12
IUPAC Name(1-bromo-1-cyclohexylidene-3,3-dimethylbutan-2-yl)oxy-trimethylsilane
SMILESCC(C)(C)C(O[Si](C)(C)C)C(Br)=C1CCCCC1
InChIInChI=1S/C15H29BrOSi/c1-15(2,3)14(17-18(4,5)6)13(16)12-10-8-7-9-11-12/h14H,7-11H2,1-6H3
InChIKeyCCNPUYFDCSSIOV-UHFFFAOYSA-N
XLogP5.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-bromo-1-cyclohexylidene-3,3-dimethylbutan-2-yl)oxy-trimethylsilane?
The IUPAC name of (1-bromo-1-cyclohexylidene-3,3-dimethylbutan-2-yl)oxy-trimethylsilane (CID 553693) is (1-bromo-1-cyclohexylidene-3,3-dimethylbutan-2-yl)oxy-trimethylsilane.
What is the SMILES notation for (1-bromo-1-cyclohexylidene-3,3-dimethylbutan-2-yl)oxy-trimethylsilane?
The canonical SMILES for (1-bromo-1-cyclohexylidene-3,3-dimethylbutan-2-yl)oxy-trimethylsilane is CC(C)(C)C(O[Si](C)(C)C)C(Br)=C1CCCCC1.
What is the InChIKey of (1-bromo-1-cyclohexylidene-3,3-dimethylbutan-2-yl)oxy-trimethylsilane?
The InChIKey is CCNPUYFDCSSIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BrOSi/c1-15(2,3)14(17-18(4,5)6)13(16)12-10-8-7-9-11-12/h14H,7-11H2,1-6H3.
What are the key properties of (1-bromo-1-cyclohexylidene-3,3-dimethylbutan-2-yl)oxy-trimethylsilane?
(1-bromo-1-cyclohexylidene-3,3-dimethylbutan-2-yl)oxy-trimethylsilane has a molecular weight of 333.39 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-1-cyclohexylidene-3,3-dimethylbutan-2-yl)oxy-trimethylsilane is sourced from PubChem (CID 553693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).