[butoxy(diethoxy)methyl]silane

C9H22O3Si — CID 3022902

IUPAC[butoxy(diethoxy)methyl]silane
SMILESCCCCOC([SiH3])(OCC)OCC
InChIInChI=1S/C9H22O3Si/c1-4-7-8-12-9(13,10-5-2)11-6-3/h4-8H2,1-3,13H3
InChIKeyUWTBDDDODWCQPN-UHFFFAOYSA-N
MW206.36 g/mol
LogP0.85
Rot. Bonds8

About [butoxy(diethoxy)methyl]silane

[butoxy(diethoxy)methyl]silane (PubChem CID 3022902) has the molecular formula C9H22O3Si and a molecular weight of 206.36 g/mol. Its IUPAC name is [butoxy(diethoxy)methyl]silane.

Molecular Properties

Compound Name[butoxy(diethoxy)methyl]silane
PubChem CID3022902
Molecular FormulaC9H22O3Si
Molecular Weight206.36 g/mol
Exact Mass206.13
IUPAC Name[butoxy(diethoxy)methyl]silane
SMILESCCCCOC([SiH3])(OCC)OCC
InChIInChI=1S/C9H22O3Si/c1-4-7-8-12-9(13,10-5-2)11-6-3/h4-8H2,1-3,13H3
InChIKeyUWTBDDDODWCQPN-UHFFFAOYSA-N
XLogP0.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[dibutoxy(tributoxymethoxy)methoxy]butane
CID 150729336
1-butoxy-N-(1-butoxy-1-ethoxypropyl)-1-ethoxypropan-1-amine
CID 173191713
2-ethoxyhexan-2-ylsilane
CID 150368773
2-butoxy-2-ethoxypropanal
CID 15353858
5,5-dibutoxynonane
CID 89440038
1-[2-(2,2,2-triethoxyethoxy)ethoxy]butane
CID 150976644
1-butoxypropane-1,1-diamine
CID 87535027
boranuide;trimethyl(tributoxymethyl)azanium
CID 175509370
5,6-dibutoxy-5,6-dimethyldecane
CID 152500539
2,2-dibutoxypropan-1-ol
CID 145497919
2,2-diethoxy-2-pentoxyethanol
CID 174807386
1,1,1-tributoxy-2-methyldecane;1,1,1-triethoxy-2-methyldecane
CID 159703510

Frequently Asked Questions

What is the IUPAC name of [butoxy(diethoxy)methyl]silane?
The IUPAC name of [butoxy(diethoxy)methyl]silane (CID 3022902) is [butoxy(diethoxy)methyl]silane.
What is the SMILES notation for [butoxy(diethoxy)methyl]silane?
The canonical SMILES for [butoxy(diethoxy)methyl]silane is CCCCOC([SiH3])(OCC)OCC.
What is the InChIKey of [butoxy(diethoxy)methyl]silane?
The InChIKey is UWTBDDDODWCQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3Si/c1-4-7-8-12-9(13,10-5-2)11-6-3/h4-8H2,1-3,13H3.
What are the key properties of [butoxy(diethoxy)methyl]silane?
[butoxy(diethoxy)methyl]silane has a molecular weight of 206.36 g/mol, XLogP of 0.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [butoxy(diethoxy)methyl]silane is sourced from PubChem (CID 3022902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).