silyl 3-methoxypropanoate

C4H10O3Si — CID 175309352

IUPACsilyl 3-methoxypropanoate
SMILESCOCCC(=O)O[SiH3]
InChIInChI=1S/C4H10O3Si/c1-6-3-2-4(5)7-8/h2-3H2,1,8H3
InChIKeyLAWXDRJWIMNSIR-UHFFFAOYSA-N
MW134.21 g/mol
LogP-1.15
Rot. Bonds3

About silyl 3-methoxypropanoate

silyl 3-methoxypropanoate (PubChem CID 175309352) has the molecular formula C4H10O3Si and a molecular weight of 134.21 g/mol. Its IUPAC name is silyl 3-methoxypropanoate.

Molecular Properties

Compound Namesilyl 3-methoxypropanoate
PubChem CID175309352
Molecular FormulaC4H10O3Si
Molecular Weight134.21 g/mol
Exact Mass134.04
IUPAC Namesilyl 3-methoxypropanoate
SMILESCOCCC(=O)O[SiH3]
InChIInChI=1S/C4H10O3Si/c1-6-3-2-4(5)7-8/h2-3H2,1,8H3
InChIKeyLAWXDRJWIMNSIR-UHFFFAOYSA-N
XLogP-1.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.21
LogP ≤ 5-1.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxypropanoic acid;yttrium
CID 87432975
heptyl 3-methoxypropanoate
CID 101326094
3-methoxy-N,N-dimethylpropanamide
CID 159478663
3-methoxy-N-oxopropanamide
CID 89105235
methyl 4-methoxybutanoate
CID 542317
ethane;3-methoxy-N-methylpropanamide
CID 178014406
1,1,1-trifluoro-4-methoxybutan-2-one
CID 62962965
disodium;1,2-dimethoxyethane;carbonate
CID 86669059
1,8-dimethoxyoctane-4,5-dione
CID 139993978
1,2-dimethoxyethane;methyl 2-methoxyacetate
CID 159708370
1,2-dimethoxyethane;ethane
CID 91349162
1,2-dimethoxyethane;samarium
CID 174304250

Frequently Asked Questions

What is the IUPAC name of silyl 3-methoxypropanoate?
The IUPAC name of silyl 3-methoxypropanoate (CID 175309352) is silyl 3-methoxypropanoate.
What is the SMILES notation for silyl 3-methoxypropanoate?
The canonical SMILES for silyl 3-methoxypropanoate is COCCC(=O)O[SiH3].
What is the InChIKey of silyl 3-methoxypropanoate?
The InChIKey is LAWXDRJWIMNSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3Si/c1-6-3-2-4(5)7-8/h2-3H2,1,8H3.
What are the key properties of silyl 3-methoxypropanoate?
silyl 3-methoxypropanoate has a molecular weight of 134.21 g/mol, XLogP of -1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 3-methoxypropanoate is sourced from PubChem (CID 175309352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).