ethyl 3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate

C15H32O4Si — CID 85257417

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

About ethyl 3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate

ethyl 3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate (PubChem CID 85257417) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate
PubChem CID85257417
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Nameethyl 3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate
SMILESCCOC(=O)CC(O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H32O4Si/c1-8-18-15(17)9-14(16)10-19-20(11(2)3,12(4)5)13(6)7/h11-14,16H,8-10H2,1-7H3
InChIKeyBPRHPISFDMEHMX-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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate?
The IUPAC name of ethyl 3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate (CID 85257417) is ethyl 3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate?
The canonical SMILES for ethyl 3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate is CCOC(=O)CC(O)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of ethyl 3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate?
The InChIKey is BPRHPISFDMEHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-8-18-15(17)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 ethyl 3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate?
ethyl 3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate 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 ethyl 3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate is sourced from PubChem (CID 85257417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).