Methyl-di-n-butoxysilane

C9H21O2Si — CID 6334598

IUPAC—
SMILESCCCCO[Si](C)OCCCC
InChIInChI=1S/C9H21O2Si/c1-4-6-8-10-12(3)11-9-7-5-2/h4-9H2,1-3H3
InChIKeyRXZQFZRIXADJEO-UHFFFAOYSA-N
MW189.35 g/mol
LogP2.74
Rot. Bonds8

About Methyl-di-n-butoxysilane

Methyl-di-n-butoxysilane (PubChem CID 6334598) has the molecular formula C9H21O2Si and a molecular weight of 189.35 g/mol.

Molecular Properties

Compound NameMethyl-di-n-butoxysilane
PubChem CID6334598
Molecular FormulaC9H21O2Si
Molecular Weight189.35 g/mol
Exact Mass189.13
IUPAC Name—
SMILESCCCCO[Si](C)OCCCC
InChIInChI=1S/C9H21O2Si/c1-4-6-8-10-12(3)11-9-7-5-2/h4-9H2,1-3H3
InChIKeyRXZQFZRIXADJEO-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Triethoxypropylsilane
CID 75691
Dibutoxy(dimethyl)silane
CID 74124
Methyltripropoxysilane
CID 79692
Butyltriethoxysilane
CID 525734
Butoxy(methoxy)dimethylsilane
CID 142654316
Dimethyldipropoxysilane
CID 525753
Butoxyethoxydimethylsilane
CID 87526
Tributoxymethylsilane
CID 79694
Tributoxypropylsilane
CID 87360
Butoxydiethoxymethylsilane
CID 20365990
Dibutoxyethoxymethylsilane
CID 44146926
Dibutyloxydiethylsilane
CID 525736

Frequently Asked Questions

What is the IUPAC name of Methyl-di-n-butoxysilane?
The IUPAC name of Methyl-di-n-butoxysilane (CID 6334598) is not available.
What is the SMILES notation for Methyl-di-n-butoxysilane?
The canonical SMILES for Methyl-di-n-butoxysilane is CCCCO[Si](C)OCCCC.
What is the InChIKey of Methyl-di-n-butoxysilane?
The InChIKey is RXZQFZRIXADJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O2Si/c1-4-6-8-10-12(3)11-9-7-5-2/h4-9H2,1-3H3.
What are the key properties of Methyl-di-n-butoxysilane?
Methyl-di-n-butoxysilane has a molecular weight of 189.35 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl-di-n-butoxysilane is sourced from PubChem (CID 6334598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).