methyl 2-dimethylsilyloxy-3,4,4-trimethylpentanoate

C11H24O3Si — CID 173402281

IUPACmethyl 2-dimethylsilyloxy-3,4,4-trimethylpentanoate
SMILESCOC(=O)C(O[SiH](C)C)C(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-8(11(2,3)4)9(10(12)13-5)14-15(6)7/h8-9,15H,1-7H3
InChIKeySRBMCKBKMIGRGG-UHFFFAOYSA-N
MW232.40 g/mol
LogP2.21
Rot. Bonds4

About methyl 2-dimethylsilyloxy-3,4,4-trimethylpentanoate

methyl 2-dimethylsilyloxy-3,4,4-trimethylpentanoate (PubChem CID 173402281) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is methyl 2-dimethylsilyloxy-3,4,4-trimethylpentanoate.

Molecular Properties

Compound Namemethyl 2-dimethylsilyloxy-3,4,4-trimethylpentanoate
PubChem CID173402281
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Namemethyl 2-dimethylsilyloxy-3,4,4-trimethylpentanoate
SMILESCOC(=O)C(O[SiH](C)C)C(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-8(11(2,3)4)9(10(12)13-5)14-15(6)7/h8-9,15H,1-7H3
InChIKeySRBMCKBKMIGRGG-UHFFFAOYSA-N
XLogP2.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-dimethylsilyloxy-3,4,4-trimethylpentanoate?
The IUPAC name of methyl 2-dimethylsilyloxy-3,4,4-trimethylpentanoate (CID 173402281) is methyl 2-dimethylsilyloxy-3,4,4-trimethylpentanoate.
What is the SMILES notation for methyl 2-dimethylsilyloxy-3,4,4-trimethylpentanoate?
The canonical SMILES for methyl 2-dimethylsilyloxy-3,4,4-trimethylpentanoate is COC(=O)C(O[SiH](C)C)C(C)C(C)(C)C.
What is the InChIKey of methyl 2-dimethylsilyloxy-3,4,4-trimethylpentanoate?
The InChIKey is SRBMCKBKMIGRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-8(11(2,3)4)9(10(12)13-5)14-15(6)7/h8-9,15H,1-7H3.
What are the key properties of methyl 2-dimethylsilyloxy-3,4,4-trimethylpentanoate?
methyl 2-dimethylsilyloxy-3,4,4-trimethylpentanoate has a molecular weight of 232.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-dimethylsilyloxy-3,4,4-trimethylpentanoate is sourced from PubChem (CID 173402281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).