1-O-tert-butyl 4-O-(2-trimethylsilylethyl) 2-hydroxybutanedioate

C13H26O5Si — CID 139675907

IUPAC1-O-tert-butyl 4-O-(2-trimethylsilylethyl) 2-hydroxybutanedioate
SMILESCC(C)(C)OC(=O)C(O)CC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C13H26O5Si/c1-13(2,3)18-12(16)10(14)9-11(15)17-7-8-19(4,5)6/h10,14H,7-9H2,1-6H3
InChIKeyVSEXYLZCHCVCRJ-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.96
Rot. Bonds6

About 1-O-tert-butyl 4-O-(2-trimethylsilylethyl) 2-hydroxybutanedioate

1-O-tert-butyl 4-O-(2-trimethylsilylethyl) 2-hydroxybutanedioate (PubChem CID 139675907) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-(2-trimethylsilylethyl) 2-hydroxybutanedioate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-(2-trimethylsilylethyl) 2-hydroxybutanedioate
PubChem CID139675907
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-O-tert-butyl 4-O-(2-trimethylsilylethyl) 2-hydroxybutanedioate
SMILESCC(C)(C)OC(=O)C(O)CC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C13H26O5Si/c1-13(2,3)18-12(16)10(14)9-11(15)17-7-8-19(4,5)6/h10,14H,7-9H2,1-6H3
InChIKeyVSEXYLZCHCVCRJ-UHFFFAOYSA-N
XLogP1.96
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Butanedioic acid, 2-hydroxy-, 1,4-dibutyl ester
CID 95385
Diisopropyl tartrate
CID 6453580
(+)-Dibutyl tartrate
CID 6910
Diisopropyl (S-(R*,R*))-tartrate
CID 112972
Diisoamyl Malate
CID 10308226
Dibutyl L-tartrate
CID 220014
Diisobutyl tartrate
CID 14609995
Methyl (S)-(-)-4-(tert-butyldimethylsilyloxy)-2-hydroxybutanoate
CID 16217854
Diisoamyl tartrate
CID 220771
Diisopropyl (R)-(+)-malate
CID 10921962
Diisopropyl (S)-(-)-malate
CID 11333435
diethyl (2R,3R)-2-methyl-3-hydroxysuccinate
CID 440395

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-(2-trimethylsilylethyl) 2-hydroxybutanedioate?
The IUPAC name of 1-O-tert-butyl 4-O-(2-trimethylsilylethyl) 2-hydroxybutanedioate (CID 139675907) is 1-O-tert-butyl 4-O-(2-trimethylsilylethyl) 2-hydroxybutanedioate.
What is the SMILES notation for 1-O-tert-butyl 4-O-(2-trimethylsilylethyl) 2-hydroxybutanedioate?
The canonical SMILES for 1-O-tert-butyl 4-O-(2-trimethylsilylethyl) 2-hydroxybutanedioate is CC(C)(C)OC(=O)C(O)CC(=O)OCC[Si](C)(C)C.
What is the InChIKey of 1-O-tert-butyl 4-O-(2-trimethylsilylethyl) 2-hydroxybutanedioate?
The InChIKey is VSEXYLZCHCVCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si/c1-13(2,3)18-12(16)10(14)9-11(15)17-7-8-19(4,5)6/h10,14H,7-9H2,1-6H3.
What are the key properties of 1-O-tert-butyl 4-O-(2-trimethylsilylethyl) 2-hydroxybutanedioate?
1-O-tert-butyl 4-O-(2-trimethylsilylethyl) 2-hydroxybutanedioate has a molecular weight of 290.43 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-(2-trimethylsilylethyl) 2-hydroxybutanedioate is sourced from PubChem (CID 139675907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).