dimethylphenylbutoxysilane

C12H19OSi — CID 66598575

IUPAC—
SMILESC[Si](C)OCCCCc1ccccc1
InChIInChI=1S/C12H19OSi/c1-14(2)13-11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3
InChIKeyPRSOLBUWNWZDAF-UHFFFAOYSA-N
MW207.37 g/mol
LogP3.28
Rot. Bonds6

About dimethylphenylbutoxysilane

dimethylphenylbutoxysilane (PubChem CID 66598575) has the molecular formula C12H19OSi and a molecular weight of 207.37 g/mol.

Molecular Properties

Compound Namedimethylphenylbutoxysilane
PubChem CID66598575
Molecular FormulaC12H19OSi
Molecular Weight207.37 g/mol
Exact Mass207.12
IUPAC Name—
SMILESC[Si](C)OCCCCc1ccccc1
InChIInChI=1S/C12H19OSi/c1-14(2)13-11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3
InChIKeyPRSOLBUWNWZDAF-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethylphenylbutoxysilane?
The IUPAC name of dimethylphenylbutoxysilane (CID 66598575) is not available.
What is the SMILES notation for dimethylphenylbutoxysilane?
The canonical SMILES for dimethylphenylbutoxysilane is C[Si](C)OCCCCc1ccccc1.
What is the InChIKey of dimethylphenylbutoxysilane?
The InChIKey is PRSOLBUWNWZDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19OSi/c1-14(2)13-11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3.
What are the key properties of dimethylphenylbutoxysilane?
dimethylphenylbutoxysilane has a molecular weight of 207.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylphenylbutoxysilane is sourced from PubChem (CID 66598575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).