1-[methyl-di(propan-2-yl)silyl]ethanone

C9H20OSi — CID 46900999

IUPAC1-[methyl-di(propan-2-yl)silyl]ethanone
SMILESCC(=O)[Si](C)(C(C)C)C(C)C
InChIInChI=1S/C9H20OSi/c1-7(2)11(6,8(3)4)9(5)10/h7-8H,1-6H3
InChIKeyQJFZCWBDNXESHP-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.01
Rot. Bonds3

About 1-[methyl-di(propan-2-yl)silyl]ethanone

1-[methyl-di(propan-2-yl)silyl]ethanone (PubChem CID 46900999) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is 1-[methyl-di(propan-2-yl)silyl]ethanone.

Molecular Properties

Compound Name1-[methyl-di(propan-2-yl)silyl]ethanone
PubChem CID46900999
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name1-[methyl-di(propan-2-yl)silyl]ethanone
SMILESCC(=O)[Si](C)(C(C)C)C(C)C
InChIInChI=1S/C9H20OSi/c1-7(2)11(6,8(3)4)9(5)10/h7-8H,1-6H3
InChIKeyQJFZCWBDNXESHP-UHFFFAOYSA-N
XLogP3.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.01
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 1-[methyl-di(propan-2-yl)silyl]ethanone?
The IUPAC name of 1-[methyl-di(propan-2-yl)silyl]ethanone (CID 46900999) is 1-[methyl-di(propan-2-yl)silyl]ethanone.
What is the SMILES notation for 1-[methyl-di(propan-2-yl)silyl]ethanone?
The canonical SMILES for 1-[methyl-di(propan-2-yl)silyl]ethanone is CC(=O)[Si](C)(C(C)C)C(C)C.
What is the InChIKey of 1-[methyl-di(propan-2-yl)silyl]ethanone?
The InChIKey is QJFZCWBDNXESHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OSi/c1-7(2)11(6,8(3)4)9(5)10/h7-8H,1-6H3.
What are the key properties of 1-[methyl-di(propan-2-yl)silyl]ethanone?
1-[methyl-di(propan-2-yl)silyl]ethanone has a molecular weight of 172.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-di(propan-2-yl)silyl]ethanone is sourced from PubChem (CID 46900999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).