3-(1,1,2-triethoxy-3-silylpropyl)oxolane-2,5-dione

C13H24O6Si — CID 173389206

IUPAC3-(1,1,2-triethoxy-3-silylpropyl)oxolane-2,5-dione
SMILESCCOC(C[SiH3])C(OCC)(OCC)C1CC(=O)OC1=O
InChIInChI=1S/C13H24O6Si/c1-4-16-10(8-20)13(17-5-2,18-6-3)9-7-11(14)19-12(9)15/h9-10H,4-8H2,1-3,20H3
InChIKeyFIVDZNMBSRFYCQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.03
Rot. Bonds9

About 3-(1,1,2-triethoxy-3-silylpropyl)oxolane-2,5-dione

3-(1,1,2-triethoxy-3-silylpropyl)oxolane-2,5-dione (PubChem CID 173389206) has the molecular formula C13H24O6Si and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-(1,1,2-triethoxy-3-silylpropyl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-(1,1,2-triethoxy-3-silylpropyl)oxolane-2,5-dione
PubChem CID173389206
Molecular FormulaC13H24O6Si
Molecular Weight304.42 g/mol
Exact Mass304.13
IUPAC Name3-(1,1,2-triethoxy-3-silylpropyl)oxolane-2,5-dione
SMILESCCOC(C[SiH3])C(OCC)(OCC)C1CC(=O)OC1=O
InChIInChI=1S/C13H24O6Si/c1-4-16-10(8-20)13(17-5-2,18-6-3)9-7-11(14)19-12(9)15/h9-10H,4-8H2,1-3,20H3
InChIKeyFIVDZNMBSRFYCQ-UHFFFAOYSA-N
XLogP0.03
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(1,1,2-triethoxy-3-silylpropyl)oxolane-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

3-tert-butyloxolane-2,5-dione
CID 10820811
3-(2-methylbutan-2-yl)oxolane-2,5-dione
CID 567164
[1,2,2-triethoxy-2-[4-(1,1,2-triethoxy-2-silylethyl)cyclohexyl]ethyl]silane
CID 173236882
3-(1-silylpropyl)oxolane-2,5-dione
CID 173422066
[2-(2,5-dioxooxolan-3-yl)-4,4-dimethylpentan-2-yl] 2-methylbutanoate
CID 23561922
3-[3-(2,2-diethoxyethylsilyl)propyl]oxolane-2,5-dione
CID 172816330
1,1-bis(1,1,2-triethoxy-3-silylpropyl)urea
CID 173175803
3-(3,3-difluorobutan-2-yl)oxolane-2,5-dione
CID 121369308
2,2-dimethylpropane;3-propan-2-yloxolane-2,5-dione
CID 145340196
ethane;3-propyloxolane-2,5-dione
CID 143734634
2-(diethoxymethyl)cyclopropan-1-one
CID 134937262
3-[3-[diethoxy(methyl)silyl]propyl]oxolane-2,5-dione
CID 23116723

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2-triethoxy-3-silylpropyl)oxolane-2,5-dione?
The IUPAC name of 3-(1,1,2-triethoxy-3-silylpropyl)oxolane-2,5-dione (CID 173389206) is 3-(1,1,2-triethoxy-3-silylpropyl)oxolane-2,5-dione.
What is the SMILES notation for 3-(1,1,2-triethoxy-3-silylpropyl)oxolane-2,5-dione?
The canonical SMILES for 3-(1,1,2-triethoxy-3-silylpropyl)oxolane-2,5-dione is CCOC(C[SiH3])C(OCC)(OCC)C1CC(=O)OC1=O.
What is the InChIKey of 3-(1,1,2-triethoxy-3-silylpropyl)oxolane-2,5-dione?
The InChIKey is FIVDZNMBSRFYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6Si/c1-4-16-10(8-20)13(17-5-2,18-6-3)9-7-11(14)19-12(9)15/h9-10H,4-8H2,1-3,20H3.
What are the key properties of 3-(1,1,2-triethoxy-3-silylpropyl)oxolane-2,5-dione?
3-(1,1,2-triethoxy-3-silylpropyl)oxolane-2,5-dione has a molecular weight of 304.42 g/mol, XLogP of 0.03, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2-triethoxy-3-silylpropyl)oxolane-2,5-dione is sourced from PubChem (CID 173389206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).