methyl 3-[dimethyl(phenyl)silyl]butanoate

C13H20O2Si — CID 10060045

IUPACmethyl 3-[dimethyl(phenyl)silyl]butanoate
SMILESCOC(=O)CC(C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C13H20O2Si/c1-11(10-13(14)15-2)16(3,4)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3
InChIKeyBVRXPSPPVMQCLF-UHFFFAOYSA-N
MW236.39 g/mol
LogP2.56
Rot. Bonds4

About methyl 3-[dimethyl(phenyl)silyl]butanoate

methyl 3-[dimethyl(phenyl)silyl]butanoate (PubChem CID 10060045) has the molecular formula C13H20O2Si and a molecular weight of 236.39 g/mol. Its IUPAC name is methyl 3-[dimethyl(phenyl)silyl]butanoate.

Molecular Properties

Compound Namemethyl 3-[dimethyl(phenyl)silyl]butanoate
PubChem CID10060045
Molecular FormulaC13H20O2Si
Molecular Weight236.39 g/mol
Exact Mass236.12
IUPAC Namemethyl 3-[dimethyl(phenyl)silyl]butanoate
SMILESCOC(=O)CC(C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C13H20O2Si/c1-11(10-13(14)15-2)16(3,4)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3
InChIKeyBVRXPSPPVMQCLF-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[dimethyl(phenyl)silyl]butanoate?
The IUPAC name of methyl 3-[dimethyl(phenyl)silyl]butanoate (CID 10060045) is methyl 3-[dimethyl(phenyl)silyl]butanoate.
What is the SMILES notation for methyl 3-[dimethyl(phenyl)silyl]butanoate?
The canonical SMILES for methyl 3-[dimethyl(phenyl)silyl]butanoate is COC(=O)CC(C)[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl 3-[dimethyl(phenyl)silyl]butanoate?
The InChIKey is BVRXPSPPVMQCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2Si/c1-11(10-13(14)15-2)16(3,4)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3.
What are the key properties of methyl 3-[dimethyl(phenyl)silyl]butanoate?
methyl 3-[dimethyl(phenyl)silyl]butanoate has a molecular weight of 236.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[dimethyl(phenyl)silyl]butanoate is sourced from PubChem (CID 10060045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).