4-[dimethoxy(propan-2-yloxy)silyl]-5-methyloxolan-2-one

C10H20O5Si — CID 71353892

IUPAC4-[dimethoxy(propan-2-yloxy)silyl]-5-methyloxolan-2-one
SMILESCO[Si](OC)(OC(C)C)C1CC(=O)OC1C
InChIInChI=1S/C10H20O5Si/c1-7(2)15-16(12-4,13-5)9-6-10(11)14-8(9)3/h7-9H,6H2,1-5H3
InChIKeyWABRVPFXGJHAOO-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.35
Rot. Bonds5

About 4-[dimethoxy(propan-2-yloxy)silyl]-5-methyloxolan-2-one

4-[dimethoxy(propan-2-yloxy)silyl]-5-methyloxolan-2-one (PubChem CID 71353892) has the molecular formula C10H20O5Si and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-[dimethoxy(propan-2-yloxy)silyl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name4-[dimethoxy(propan-2-yloxy)silyl]-5-methyloxolan-2-one
PubChem CID71353892
Molecular FormulaC10H20O5Si
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name4-[dimethoxy(propan-2-yloxy)silyl]-5-methyloxolan-2-one
SMILESCO[Si](OC)(OC(C)C)C1CC(=O)OC1C
InChIInChI=1S/C10H20O5Si/c1-7(2)15-16(12-4,13-5)9-6-10(11)14-8(9)3/h7-9H,6H2,1-5H3
InChIKeyWABRVPFXGJHAOO-UHFFFAOYSA-N
XLogP1.35
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-{[(tert-butyldimethylsilyl)oxy]methyl}oxolan-2-one
CID 10014094
(4R,5S)-4-fluoro-5-[tri(propan-2-yl)silylmethyl]oxolan-2-one
CID 24753142
(4R,5R)-4-fluoro-5-[tri(propan-2-yl)silylmethyl]oxolan-2-one
CID 24753143
ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 11118818
5-({[tert-butyl(dimethyl)silyl]oxy}methyl)dihydro-2(3H)-furanone
CID 14159547
Ethyl 5-triethoxysilylpentanoate
CID 21559052
Oxolane-2,5-dione;triethoxy(propyl)silane
CID 22675978
(R)-4-([(tert-butyldimethylsilyl)oxy]methyl)-4-butyrolactone
CID 22849469
1-Triethoxysilylpropyl pentanoate
CID 22902839
1-Trimethoxysilylpropyl pentanoate
CID 22902848
3-Trimethoxysilylpropyl valerate
CID 53673316
3-Triethoxysilylpropyl pentanoate
CID 53838531

Frequently Asked Questions

What is the IUPAC name of 4-[dimethoxy(propan-2-yloxy)silyl]-5-methyloxolan-2-one?
The IUPAC name of 4-[dimethoxy(propan-2-yloxy)silyl]-5-methyloxolan-2-one (CID 71353892) is 4-[dimethoxy(propan-2-yloxy)silyl]-5-methyloxolan-2-one.
What is the SMILES notation for 4-[dimethoxy(propan-2-yloxy)silyl]-5-methyloxolan-2-one?
The canonical SMILES for 4-[dimethoxy(propan-2-yloxy)silyl]-5-methyloxolan-2-one is CO[Si](OC)(OC(C)C)C1CC(=O)OC1C.
What is the InChIKey of 4-[dimethoxy(propan-2-yloxy)silyl]-5-methyloxolan-2-one?
The InChIKey is WABRVPFXGJHAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si/c1-7(2)15-16(12-4,13-5)9-6-10(11)14-8(9)3/h7-9H,6H2,1-5H3.
What are the key properties of 4-[dimethoxy(propan-2-yloxy)silyl]-5-methyloxolan-2-one?
4-[dimethoxy(propan-2-yloxy)silyl]-5-methyloxolan-2-one has a molecular weight of 248.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethoxy(propan-2-yloxy)silyl]-5-methyloxolan-2-one is sourced from PubChem (CID 71353892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).