4-(trimethylsilylmethyl)-2H-furan-5-one

C8H14O2Si — CID 14116359

IUPAC4-(trimethylsilylmethyl)-2H-furan-5-one
SMILESC[Si](C)(C)CC1=CCOC1=O
InChIInChI=1S/C8H14O2Si/c1-11(2,3)6-7-4-5-10-8(7)9/h4H,5-6H2,1-3H3
InChIKeyTZVQFCPECPFLBL-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.81
Rot. Bonds2

About 4-(trimethylsilylmethyl)-2H-furan-5-one

4-(trimethylsilylmethyl)-2H-furan-5-one (PubChem CID 14116359) has the molecular formula C8H14O2Si and a molecular weight of 170.28 g/mol. Its IUPAC name is 4-(trimethylsilylmethyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-(trimethylsilylmethyl)-2H-furan-5-one
PubChem CID14116359
Molecular FormulaC8H14O2Si
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name4-(trimethylsilylmethyl)-2H-furan-5-one
SMILESC[Si](C)(C)CC1=CCOC1=O
InChIInChI=1S/C8H14O2Si/c1-11(2,3)6-7-4-5-10-8(7)9/h4H,5-6H2,1-3H3
InChIKeyTZVQFCPECPFLBL-UHFFFAOYSA-N
XLogP1.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-(trimethylsilylmethyl)-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(trimethylsilylmethyl)-2H-furan-5-one?
The IUPAC name of 4-(trimethylsilylmethyl)-2H-furan-5-one (CID 14116359) is 4-(trimethylsilylmethyl)-2H-furan-5-one.
What is the SMILES notation for 4-(trimethylsilylmethyl)-2H-furan-5-one?
The canonical SMILES for 4-(trimethylsilylmethyl)-2H-furan-5-one is C[Si](C)(C)CC1=CCOC1=O.
What is the InChIKey of 4-(trimethylsilylmethyl)-2H-furan-5-one?
The InChIKey is TZVQFCPECPFLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2Si/c1-11(2,3)6-7-4-5-10-8(7)9/h4H,5-6H2,1-3H3.
What are the key properties of 4-(trimethylsilylmethyl)-2H-furan-5-one?
4-(trimethylsilylmethyl)-2H-furan-5-one has a molecular weight of 170.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trimethylsilylmethyl)-2H-furan-5-one is sourced from PubChem (CID 14116359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).