[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate

C15H32O4Si — CID 101178492

IUPAC[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate
SMILESCCC(=O)OCC(O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H32O4Si/c1-8-15(17)18-9-14(16)10-19-20(11(2)3,12(4)5)13(6)7/h11-14,16H,8-10H2,1-7H3
InChIKeySFPGRNLKHBZUOD-UHFFFAOYSA-N
MW304.50 g/mol
LogP3.49
Rot. Bonds9

About [2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate

[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate (PubChem CID 101178492) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is [2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate.

Molecular Properties

Compound Name[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate
PubChem CID101178492
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate
SMILESCCC(=O)OCC(O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H32O4Si/c1-8-15(17)18-9-14(16)10-19-20(11(2)3,12(4)5)13(6)7/h11-14,16H,8-10H2,1-7H3
InChIKeySFPGRNLKHBZUOD-UHFFFAOYSA-N
XLogP3.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate 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

(2-hydroxy-3-propanoyloxypropyl) 2-methylbutanoate
CID 91017157
2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one
CID 71345142
(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate
CID 20746567
[2-hydroxy-3-[5-(2-hydroxy-3-propanoyloxypropoxy)pentoxy]propyl] propanoate
CID 160776856
methyl (3R,5R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate
CID 14760943
(3-hydroxy-2-methylbutyl) propanoate
CID 54448518
(2-hydroxy-3-propanoyloxypropyl) 2,2-dimethylbutanoate
CID 140925910
(2-hydroxy-2-sulfanylethyl) propanoate
CID 87972753
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] propanoate
CID 137319661
(2-methyl-3-oxobutyl) propanoate
CID 87670763
[(2R)-2-hydroxy-3-(12-methyltetradecanoyloxy)propyl] 22-methyltetracosanoate
CID 131799914
[(2S)-2-hydroxy-3-(10-methyldodecanoyloxy)propyl] 18-methylicosanoate
CID 131800571

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate?
The IUPAC name of [2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate (CID 101178492) is [2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate.
What is the SMILES notation for [2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate?
The canonical SMILES for [2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate is CCC(=O)OCC(O)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate?
The InChIKey is SFPGRNLKHBZUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-8-15(17)18-9-14(16)10-19-20(11(2)3,12(4)5)13(6)7/h11-14,16H,8-10H2,1-7H3.
What are the key properties of [2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate?
[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate has a molecular weight of 304.50 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate is sourced from PubChem (CID 101178492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).