4-[tert-butyl(dimethyl)silyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

C13H22O2Si — CID 15364598

IUPAC4-[tert-butyl(dimethyl)silyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESCC(C)(C)[Si](C)(C)C1=C2COCC2CC1=O
InChIInChI=1S/C13H22O2Si/c1-13(2,3)16(4,5)12-10-8-15-7-9(10)6-11(12)14/h9H,6-8H2,1-5H3
InChIKeyGRYCDYOUBBFCJI-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.95
Rot. Bonds1

About 4-[tert-butyl(dimethyl)silyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

4-[tert-butyl(dimethyl)silyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (PubChem CID 15364598) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
PubChem CID15364598
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name4-[tert-butyl(dimethyl)silyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESCC(C)(C)[Si](C)(C)C1=C2COCC2CC1=O
InChIInChI=1S/C13H22O2Si/c1-13(2,3)16(4,5)12-10-8-15-7-9(10)6-11(12)14/h9H,6-8H2,1-5H3
InChIKeyGRYCDYOUBBFCJI-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[tert-butyl(dimethyl)silyl]-1,3,6,6a-tetrahydrocyclopenta[c]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-[tert-butyl(dimethyl)silyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (CID 15364598) is 4-[tert-butyl(dimethyl)silyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is CC(C)(C)[Si](C)(C)C1=C2COCC2CC1=O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The InChIKey is GRYCDYOUBBFCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-13(2,3)16(4,5)12-10-8-15-7-9(10)6-11(12)14/h9H,6-8H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
4-[tert-butyl(dimethyl)silyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one has a molecular weight of 238.40 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is sourced from PubChem (CID 15364598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).