triethylsilyl 3-methylbutanoate

C11H24O2Si — CID 170847747

IUPACtriethylsilyl 3-methylbutanoate
SMILESCC[Si](CC)(CC)OC(=O)CC(C)C
InChIInChI=1S/C11H24O2Si/c1-6-14(7-2,8-3)13-11(12)9-10(4)5/h10H,6-9H2,1-5H3
InChIKeyMBIWSGWUVIRHNS-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.58
Rot. Bonds6

About triethylsilyl 3-methylbutanoate

triethylsilyl 3-methylbutanoate (PubChem CID 170847747) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is triethylsilyl 3-methylbutanoate.

Molecular Properties

Compound Nametriethylsilyl 3-methylbutanoate
PubChem CID170847747
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Nametriethylsilyl 3-methylbutanoate
SMILESCC[Si](CC)(CC)OC(=O)CC(C)C
InChIInChI=1S/C11H24O2Si/c1-6-14(7-2,8-3)13-11(12)9-10(4)5/h10H,6-9H2,1-5H3
InChIKeyMBIWSGWUVIRHNS-UHFFFAOYSA-N
XLogP3.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.58
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 triethylsilyl 3-methylbutanoate?
The IUPAC name of triethylsilyl 3-methylbutanoate (CID 170847747) is triethylsilyl 3-methylbutanoate.
What is the SMILES notation for triethylsilyl 3-methylbutanoate?
The canonical SMILES for triethylsilyl 3-methylbutanoate is CC[Si](CC)(CC)OC(=O)CC(C)C.
What is the InChIKey of triethylsilyl 3-methylbutanoate?
The InChIKey is MBIWSGWUVIRHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-6-14(7-2,8-3)13-11(12)9-10(4)5/h10H,6-9H2,1-5H3.
What are the key properties of triethylsilyl 3-methylbutanoate?
triethylsilyl 3-methylbutanoate has a molecular weight of 216.40 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl 3-methylbutanoate is sourced from PubChem (CID 170847747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).