(1-bromo-4,6,6-trimethylheptan-4-yl)oxysilane

C10H23BrOSi — CID 173367120

IUPAC(1-bromo-4,6,6-trimethylheptan-4-yl)oxysilane
SMILESCC(C)(C)CC(C)(CCCBr)O[SiH3]
InChIInChI=1S/C10H23BrOSi/c1-9(2,3)8-10(4,12-13)6-5-7-11/h5-8H2,1-4,13H3
InChIKeyCLHZULQMQXODOT-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.65
Rot. Bonds5

About (1-bromo-4,6,6-trimethylheptan-4-yl)oxysilane

(1-bromo-4,6,6-trimethylheptan-4-yl)oxysilane (PubChem CID 173367120) has the molecular formula C10H23BrOSi and a molecular weight of 267.28 g/mol. Its IUPAC name is (1-bromo-4,6,6-trimethylheptan-4-yl)oxysilane.

Molecular Properties

Compound Name(1-bromo-4,6,6-trimethylheptan-4-yl)oxysilane
PubChem CID173367120
Molecular FormulaC10H23BrOSi
Molecular Weight267.28 g/mol
Exact Mass266.07
IUPAC Name(1-bromo-4,6,6-trimethylheptan-4-yl)oxysilane
SMILESCC(C)(C)CC(C)(CCCBr)O[SiH3]
InChIInChI=1S/C10H23BrOSi/c1-9(2,3)8-10(4,12-13)6-5-7-11/h5-8H2,1-4,13H3
InChIKeyCLHZULQMQXODOT-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 18985391
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CID 19966831
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CID 121375961
9-bromo-2-methylnonan-2-ol
CID 139625731
2-methylicosan-2-yloxysilane
CID 173002328
1,1,1,4-tetrabromobutane
CID 12696456
1,7-dibromo-4,4-dichloroheptane
CID 154156689
dimethyl-(4-methyl-4-silyloxypentyl)phosphane
CID 173465122
dimethyl-(5-methyl-5-silyloxyhexyl)phosphane
CID 173465118
1-bromo-4-methyl-4-nitropentane
CID 129186083
1-(4-bromobutoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene
CID 63499116
1-bromo-16,16-diethyloctadecane
CID 141121710

Frequently Asked Questions

What is the IUPAC name of (1-bromo-4,6,6-trimethylheptan-4-yl)oxysilane?
The IUPAC name of (1-bromo-4,6,6-trimethylheptan-4-yl)oxysilane (CID 173367120) is (1-bromo-4,6,6-trimethylheptan-4-yl)oxysilane.
What is the SMILES notation for (1-bromo-4,6,6-trimethylheptan-4-yl)oxysilane?
The canonical SMILES for (1-bromo-4,6,6-trimethylheptan-4-yl)oxysilane is CC(C)(C)CC(C)(CCCBr)O[SiH3].
What is the InChIKey of (1-bromo-4,6,6-trimethylheptan-4-yl)oxysilane?
The InChIKey is CLHZULQMQXODOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23BrOSi/c1-9(2,3)8-10(4,12-13)6-5-7-11/h5-8H2,1-4,13H3.
What are the key properties of (1-bromo-4,6,6-trimethylheptan-4-yl)oxysilane?
(1-bromo-4,6,6-trimethylheptan-4-yl)oxysilane has a molecular weight of 267.28 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-4,6,6-trimethylheptan-4-yl)oxysilane is sourced from PubChem (CID 173367120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).