(3R)-3-methyl-4-trimethylsilylbutan-2-one

C8H18OSi — CID 134881195

IUPAC(3R)-3-methyl-4-trimethylsilylbutan-2-one
SMILESCC(=O)[C@@H](C)C[Si](C)(C)C
InChIInChI=1S/C8H18OSi/c1-7(8(2)9)6-10(3,4)5/h7H,6H2,1-5H3/t7-/m0/s1
InChIKeyGRVBXCVMBTZHOO-ZETCQYMHSA-N
MW158.32 g/mol
LogP2.55
Rot. Bonds3

About (3R)-3-methyl-4-trimethylsilylbutan-2-one

(3R)-3-methyl-4-trimethylsilylbutan-2-one (PubChem CID 134881195) has the molecular formula C8H18OSi and a molecular weight of 158.32 g/mol. Its IUPAC name is (3R)-3-methyl-4-trimethylsilylbutan-2-one.

Molecular Properties

Compound Name(3R)-3-methyl-4-trimethylsilylbutan-2-one
PubChem CID134881195
Molecular FormulaC8H18OSi
Molecular Weight158.32 g/mol
Exact Mass158.11
IUPAC Name(3R)-3-methyl-4-trimethylsilylbutan-2-one
SMILESCC(=O)[C@@H](C)C[Si](C)(C)C
InChIInChI=1S/C8H18OSi/c1-7(8(2)9)6-10(3,4)5/h7H,6H2,1-5H3/t7-/m0/s1
InChIKeyGRVBXCVMBTZHOO-ZETCQYMHSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3R)-3-methyl-4-trimethylsilylbutan-2-one?
The IUPAC name of (3R)-3-methyl-4-trimethylsilylbutan-2-one (CID 134881195) is (3R)-3-methyl-4-trimethylsilylbutan-2-one.
What is the SMILES notation for (3R)-3-methyl-4-trimethylsilylbutan-2-one?
The canonical SMILES for (3R)-3-methyl-4-trimethylsilylbutan-2-one is CC(=O)[C@@H](C)C[Si](C)(C)C.
What is the InChIKey of (3R)-3-methyl-4-trimethylsilylbutan-2-one?
The InChIKey is GRVBXCVMBTZHOO-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18OSi/c1-7(8(2)9)6-10(3,4)5/h7H,6H2,1-5H3/t7-/m0/s1.
What are the key properties of (3R)-3-methyl-4-trimethylsilylbutan-2-one?
(3R)-3-methyl-4-trimethylsilylbutan-2-one has a molecular weight of 158.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-trimethylsilylbutan-2-one is sourced from PubChem (CID 134881195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).