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

C10H18O6Si — CID 174500869

IUPAC3-(1,1,2-trimethoxy-3-silylpropyl)oxolane-2,5-dione
SMILESCOC(C[SiH3])C(OC)(OC)C1CC(=O)OC1=O
InChIInChI=1S/C10H18O6Si/c1-13-7(5-17)10(14-2,15-3)6-4-8(11)16-9(6)12/h6-7H,4-5H2,1-3,17H3
InChIKeyJZGMRLINEQUQAF-UHFFFAOYSA-N
MW262.33 g/mol
LogP-1.14
Rot. Bonds6

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

3-(1,1,2-trimethoxy-3-silylpropyl)oxolane-2,5-dione (PubChem CID 174500869) has the molecular formula C10H18O6Si and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-(1,1,2-trimethoxy-3-silylpropyl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-(1,1,2-trimethoxy-3-silylpropyl)oxolane-2,5-dione
PubChem CID174500869
Molecular FormulaC10H18O6Si
Molecular Weight262.33 g/mol
Exact Mass262.09
IUPAC Name3-(1,1,2-trimethoxy-3-silylpropyl)oxolane-2,5-dione
SMILESCOC(C[SiH3])C(OC)(OC)C1CC(=O)OC1=O
InChIInChI=1S/C10H18O6Si/c1-13-7(5-17)10(14-2,15-3)6-4-8(11)16-9(6)12/h6-7H,4-5H2,1-3,17H3
InChIKeyJZGMRLINEQUQAF-UHFFFAOYSA-N
XLogP-1.14
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-1.14
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2-trimethoxy-3-silylpropyl)oxolane-2,5-dione?
The IUPAC name of 3-(1,1,2-trimethoxy-3-silylpropyl)oxolane-2,5-dione (CID 174500869) is 3-(1,1,2-trimethoxy-3-silylpropyl)oxolane-2,5-dione.
What is the SMILES notation for 3-(1,1,2-trimethoxy-3-silylpropyl)oxolane-2,5-dione?
The canonical SMILES for 3-(1,1,2-trimethoxy-3-silylpropyl)oxolane-2,5-dione is COC(C[SiH3])C(OC)(OC)C1CC(=O)OC1=O.
What is the InChIKey of 3-(1,1,2-trimethoxy-3-silylpropyl)oxolane-2,5-dione?
The InChIKey is JZGMRLINEQUQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6Si/c1-13-7(5-17)10(14-2,15-3)6-4-8(11)16-9(6)12/h6-7H,4-5H2,1-3,17H3.
What are the key properties of 3-(1,1,2-trimethoxy-3-silylpropyl)oxolane-2,5-dione?
3-(1,1,2-trimethoxy-3-silylpropyl)oxolane-2,5-dione has a molecular weight of 262.33 g/mol, XLogP of -1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2-trimethoxy-3-silylpropyl)oxolane-2,5-dione is sourced from PubChem (CID 174500869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).