(3,4-dihydroxy-2-oxobutyl) dimethyl propyl silicate

C9H20O7Si — CID 141076213

IUPAC(3,4-dihydroxy-2-oxobutyl) dimethyl propyl silicate
SMILESCCCO[Si](OC)(OC)OCC(=O)C(O)CO
InChIInChI=1S/C9H20O7Si/c1-4-5-15-17(13-2,14-3)16-7-9(12)8(11)6-10/h8,10-11H,4-7H2,1-3H3
InChIKeyAQGBHJIPDMPCNL-UHFFFAOYSA-N
MW268.34 g/mol
LogP-0.92
Rot. Bonds10

About (3,4-dihydroxy-2-oxobutyl) dimethyl propyl silicate

(3,4-dihydroxy-2-oxobutyl) dimethyl propyl silicate (PubChem CID 141076213) has the molecular formula C9H20O7Si and a molecular weight of 268.34 g/mol. Its IUPAC name is (3,4-dihydroxy-2-oxobutyl) dimethyl propyl silicate.

Molecular Properties

Compound Name(3,4-dihydroxy-2-oxobutyl) dimethyl propyl silicate
PubChem CID141076213
Molecular FormulaC9H20O7Si
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name(3,4-dihydroxy-2-oxobutyl) dimethyl propyl silicate
SMILESCCCO[Si](OC)(OC)OCC(=O)C(O)CO
InChIInChI=1S/C9H20O7Si/c1-4-5-15-17(13-2,14-3)16-7-9(12)8(11)6-10/h8,10-11H,4-7H2,1-3H3
InChIKeyAQGBHJIPDMPCNL-UHFFFAOYSA-N
XLogP-0.92
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxy-2-oxobutyl) dimethyl propyl silicate?
The IUPAC name of (3,4-dihydroxy-2-oxobutyl) dimethyl propyl silicate (CID 141076213) is (3,4-dihydroxy-2-oxobutyl) dimethyl propyl silicate.
What is the SMILES notation for (3,4-dihydroxy-2-oxobutyl) dimethyl propyl silicate?
The canonical SMILES for (3,4-dihydroxy-2-oxobutyl) dimethyl propyl silicate is CCCO[Si](OC)(OC)OCC(=O)C(O)CO.
What is the InChIKey of (3,4-dihydroxy-2-oxobutyl) dimethyl propyl silicate?
The InChIKey is AQGBHJIPDMPCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O7Si/c1-4-5-15-17(13-2,14-3)16-7-9(12)8(11)6-10/h8,10-11H,4-7H2,1-3H3.
What are the key properties of (3,4-dihydroxy-2-oxobutyl) dimethyl propyl silicate?
(3,4-dihydroxy-2-oxobutyl) dimethyl propyl silicate has a molecular weight of 268.34 g/mol, XLogP of -0.92, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxy-2-oxobutyl) dimethyl propyl silicate is sourced from PubChem (CID 141076213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).