butyl-(3,3-dimethylbutoxy)-phenylsilane

C16H28OSi — CID 174463566

IUPACbutyl-(3,3-dimethylbutoxy)-phenylsilane
SMILESCCCC[SiH](OCCC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H28OSi/c1-5-6-14-18(15-10-8-7-9-11-15)17-13-12-16(2,3)4/h7-11,18H,5-6,12-14H2,1-4H3
InChIKeySNNZRCTXWFHSND-UHFFFAOYSA-N
MW264.48 g/mol
LogP3.87
Rot. Bonds7

About butyl-(3,3-dimethylbutoxy)-phenylsilane

butyl-(3,3-dimethylbutoxy)-phenylsilane (PubChem CID 174463566) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is butyl-(3,3-dimethylbutoxy)-phenylsilane.

Molecular Properties

Compound Namebutyl-(3,3-dimethylbutoxy)-phenylsilane
PubChem CID174463566
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Namebutyl-(3,3-dimethylbutoxy)-phenylsilane
SMILESCCCC[SiH](OCCC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H28OSi/c1-5-6-14-18(15-10-8-7-9-11-15)17-13-12-16(2,3)4/h7-11,18H,5-6,12-14H2,1-4H3
InChIKeySNNZRCTXWFHSND-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butoxy-butyl-phenylsilane
CID 172815516
dihexadecoxy(phenyl)silane
CID 173048581
N-[butyl(phenyl)silyl]methanamine
CID 123848380
hexyl(diphenyl)silane
CID 15142320
[dodecyl(phenyl)silyl] prop-2-enoate
CID 123891276
2-methylhexan-2-ylperoxybenzene
CID 151514509
dibutyl-(4,4-dimethylpentyl)-phenylazanium
CID 175018250
hexyl-methyl-phenylsilane
CID 14945725
2-[butyl(phenyl)silyl]-N-ethylethanimine
CID 123803680
butyl-(4,4-dimethylpentyl)-diphenylphosphanium
CID 58520425
tert-butylbenzene;hexane
CID 175254424
4,4-dimethylpentoxybenzene;fluoromethane
CID 158387745

Frequently Asked Questions

What is the IUPAC name of butyl-(3,3-dimethylbutoxy)-phenylsilane?
The IUPAC name of butyl-(3,3-dimethylbutoxy)-phenylsilane (CID 174463566) is butyl-(3,3-dimethylbutoxy)-phenylsilane.
What is the SMILES notation for butyl-(3,3-dimethylbutoxy)-phenylsilane?
The canonical SMILES for butyl-(3,3-dimethylbutoxy)-phenylsilane is CCCC[SiH](OCCC(C)(C)C)c1ccccc1.
What is the InChIKey of butyl-(3,3-dimethylbutoxy)-phenylsilane?
The InChIKey is SNNZRCTXWFHSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSi/c1-5-6-14-18(15-10-8-7-9-11-15)17-13-12-16(2,3)4/h7-11,18H,5-6,12-14H2,1-4H3.
What are the key properties of butyl-(3,3-dimethylbutoxy)-phenylsilane?
butyl-(3,3-dimethylbutoxy)-phenylsilane has a molecular weight of 264.48 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(3,3-dimethylbutoxy)-phenylsilane is sourced from PubChem (CID 174463566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).