5-methyl-4-(silylmethyl)oxolan-2-one

C6H12O2Si — CID 174039472

IUPAC5-methyl-4-(silylmethyl)oxolan-2-one
SMILESCC1OC(=O)CC1C[SiH3]
InChIInChI=1S/C6H12O2Si/c1-4-5(3-9)2-6(7)8-4/h4-5H,2-3H2,1,9H3
InChIKeyJKPNOJVVDPYJJK-UHFFFAOYSA-N
MW144.25 g/mol
LogP-0.28
Rot. Bonds1

About 5-methyl-4-(silylmethyl)oxolan-2-one

5-methyl-4-(silylmethyl)oxolan-2-one (PubChem CID 174039472) has the molecular formula C6H12O2Si and a molecular weight of 144.25 g/mol. Its IUPAC name is 5-methyl-4-(silylmethyl)oxolan-2-one.

Molecular Properties

Compound Name5-methyl-4-(silylmethyl)oxolan-2-one
PubChem CID174039472
Molecular FormulaC6H12O2Si
Molecular Weight144.25 g/mol
Exact Mass144.06
IUPAC Name5-methyl-4-(silylmethyl)oxolan-2-one
SMILESCC1OC(=O)CC1C[SiH3]
InChIInChI=1S/C6H12O2Si/c1-4-5(3-9)2-6(7)8-4/h4-5H,2-3H2,1,9H3
InChIKeyJKPNOJVVDPYJJK-UHFFFAOYSA-N
XLogP-0.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.25
LogP ≤ 5-0.28
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 5-methyl-4-(silylmethyl)oxolan-2-one?
The IUPAC name of 5-methyl-4-(silylmethyl)oxolan-2-one (CID 174039472) is 5-methyl-4-(silylmethyl)oxolan-2-one.
What is the SMILES notation for 5-methyl-4-(silylmethyl)oxolan-2-one?
The canonical SMILES for 5-methyl-4-(silylmethyl)oxolan-2-one is CC1OC(=O)CC1C[SiH3].
What is the InChIKey of 5-methyl-4-(silylmethyl)oxolan-2-one?
The InChIKey is JKPNOJVVDPYJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2Si/c1-4-5(3-9)2-6(7)8-4/h4-5H,2-3H2,1,9H3.
What are the key properties of 5-methyl-4-(silylmethyl)oxolan-2-one?
5-methyl-4-(silylmethyl)oxolan-2-one has a molecular weight of 144.25 g/mol, XLogP of -0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(silylmethyl)oxolan-2-one is sourced from PubChem (CID 174039472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).