[butyl(dimethoxy)silyl]oxymethyl propanoate

C10H22O5Si — CID 140963360

IUPAC[butyl(dimethoxy)silyl]oxymethyl propanoate
SMILESCCCC[Si](OC)(OC)OCOC(=O)CC
InChIInChI=1S/C10H22O5Si/c1-5-7-8-16(12-3,13-4)15-9-14-10(11)6-2/h5-9H2,1-4H3
InChIKeyWZKZNAQSGUWGNM-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.95
Rot. Bonds9

About [butyl(dimethoxy)silyl]oxymethyl propanoate

[butyl(dimethoxy)silyl]oxymethyl propanoate (PubChem CID 140963360) has the molecular formula C10H22O5Si and a molecular weight of 250.37 g/mol. Its IUPAC name is [butyl(dimethoxy)silyl]oxymethyl propanoate.

Molecular Properties

Compound Name[butyl(dimethoxy)silyl]oxymethyl propanoate
PubChem CID140963360
Molecular FormulaC10H22O5Si
Molecular Weight250.37 g/mol
Exact Mass250.12
IUPAC Name[butyl(dimethoxy)silyl]oxymethyl propanoate
SMILESCCCC[Si](OC)(OC)OCOC(=O)CC
InChIInChI=1S/C10H22O5Si/c1-5-7-8-16(12-3,13-4)15-9-14-10(11)6-2/h5-9H2,1-4H3
InChIKeyWZKZNAQSGUWGNM-UHFFFAOYSA-N
XLogP1.95
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[butyl(dimethoxy)silyl]oxybut-3-en-2-one
CID 154288993
1-[butyl(dimethoxy)silyl]oxy-3-methylbut-3-en-2-one
CID 175561104
butoxy-butyl-dimethoxysilane
CID 139714527
[dimethoxy(propyl)silyl]oxymethyl prop-2-enoate
CID 87123617
butyl(trimethoxy)silane;hexane;methyl propanoate;N-propyl-3-trimethoxysilylpropan-1-amine;N-(3-trimethoxysilylpropyl)hexan-1-amine
CID 167553649
propyl 4-trimethoxysilylbutanoate
CID 174313237
butyl-methoxy-dipropoxysilane
CID 18672915
[butyl(dimethoxy)silyl] 2-methylprop-2-enoate
CID 87481263
4-triethoxysilylbutyl propanoate
CID 141347796
butyl(triethoxy)silane;trimethoxy(propyl)silane
CID 158050354
butyl-diethoxy-methoxysilane;molecular hydrogen
CID 161363700
6-trimethoxysilylhexan-3-one
CID 154355591

Frequently Asked Questions

What is the IUPAC name of [butyl(dimethoxy)silyl]oxymethyl propanoate?
The IUPAC name of [butyl(dimethoxy)silyl]oxymethyl propanoate (CID 140963360) is [butyl(dimethoxy)silyl]oxymethyl propanoate.
What is the SMILES notation for [butyl(dimethoxy)silyl]oxymethyl propanoate?
The canonical SMILES for [butyl(dimethoxy)silyl]oxymethyl propanoate is CCCC[Si](OC)(OC)OCOC(=O)CC.
What is the InChIKey of [butyl(dimethoxy)silyl]oxymethyl propanoate?
The InChIKey is WZKZNAQSGUWGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5Si/c1-5-7-8-16(12-3,13-4)15-9-14-10(11)6-2/h5-9H2,1-4H3.
What are the key properties of [butyl(dimethoxy)silyl]oxymethyl propanoate?
[butyl(dimethoxy)silyl]oxymethyl propanoate has a molecular weight of 250.37 g/mol, XLogP of 1.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(dimethoxy)silyl]oxymethyl propanoate is sourced from PubChem (CID 140963360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).