1,1,3-trimethylsilinan-2-one

C8H16OSi — CID 71332283

IUPAC1,1,3-trimethylsilinan-2-one
SMILESCC1CCC[Si](C)(C)C1=O
InChIInChI=1S/C8H16OSi/c1-7-5-4-6-10(2,3)8(7)9/h7H,4-6H2,1-3H3
InChIKeyJKBKMPXGUAAMQQ-UHFFFAOYSA-N
MW156.30 g/mol
LogP2.23
Rot. Bonds

About 1,1,3-trimethylsilinan-2-one

1,1,3-trimethylsilinan-2-one (PubChem CID 71332283) has the molecular formula C8H16OSi and a molecular weight of 156.30 g/mol. Its IUPAC name is 1,1,3-trimethylsilinan-2-one.

Molecular Properties

Compound Name1,1,3-trimethylsilinan-2-one
PubChem CID71332283
Molecular FormulaC8H16OSi
Molecular Weight156.30 g/mol
Exact Mass156.10
IUPAC Name1,1,3-trimethylsilinan-2-one
SMILESCC1CCC[Si](C)(C)C1=O
InChIInChI=1S/C8H16OSi/c1-7-5-4-6-10(2,3)8(7)9/h7H,4-6H2,1-3H3
InChIKeyJKBKMPXGUAAMQQ-UHFFFAOYSA-N
XLogP2.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.30
LogP ≤ 52.23
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 1,1,3-trimethylsilinan-2-one?
The IUPAC name of 1,1,3-trimethylsilinan-2-one (CID 71332283) is 1,1,3-trimethylsilinan-2-one.
What is the SMILES notation for 1,1,3-trimethylsilinan-2-one?
The canonical SMILES for 1,1,3-trimethylsilinan-2-one is CC1CCC[Si](C)(C)C1=O.
What is the InChIKey of 1,1,3-trimethylsilinan-2-one?
The InChIKey is JKBKMPXGUAAMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OSi/c1-7-5-4-6-10(2,3)8(7)9/h7H,4-6H2,1-3H3.
What are the key properties of 1,1,3-trimethylsilinan-2-one?
1,1,3-trimethylsilinan-2-one has a molecular weight of 156.30 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethylsilinan-2-one is sourced from PubChem (CID 71332283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).