ethyl 2-oxo-5-tri(propan-2-yl)silyloxypentanoate

C16H32O4Si — CID 87894585

IUPACethyl 2-oxo-5-tri(propan-2-yl)silyloxypentanoate
SMILESCCOC(=O)C(=O)CCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32O4Si/c1-8-19-16(18)15(17)10-9-11-20-21(12(2)3,13(4)5)14(6)7/h12-14H,8-11H2,1-7H3
InChIKeyBWANFEMPXJYXBD-UHFFFAOYSA-N
MW316.51 g/mol
LogP4.09
Rot. Bonds10

About ethyl 2-oxo-5-tri(propan-2-yl)silyloxypentanoate

ethyl 2-oxo-5-tri(propan-2-yl)silyloxypentanoate (PubChem CID 87894585) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is ethyl 2-oxo-5-tri(propan-2-yl)silyloxypentanoate.

Molecular Properties

Compound Nameethyl 2-oxo-5-tri(propan-2-yl)silyloxypentanoate
PubChem CID87894585
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Nameethyl 2-oxo-5-tri(propan-2-yl)silyloxypentanoate
SMILESCCOC(=O)C(=O)CCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32O4Si/c1-8-19-16(18)15(17)10-9-11-20-21(12(2)3,13(4)5)14(6)7/h12-14H,8-11H2,1-7H3
InChIKeyBWANFEMPXJYXBD-UHFFFAOYSA-N
XLogP4.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-5-tri(propan-2-yl)silyloxypentanoate?
The IUPAC name of ethyl 2-oxo-5-tri(propan-2-yl)silyloxypentanoate (CID 87894585) is ethyl 2-oxo-5-tri(propan-2-yl)silyloxypentanoate.
What is the SMILES notation for ethyl 2-oxo-5-tri(propan-2-yl)silyloxypentanoate?
The canonical SMILES for ethyl 2-oxo-5-tri(propan-2-yl)silyloxypentanoate is CCOC(=O)C(=O)CCCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of ethyl 2-oxo-5-tri(propan-2-yl)silyloxypentanoate?
The InChIKey is BWANFEMPXJYXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-8-19-16(18)15(17)10-9-11-20-21(12(2)3,13(4)5)14(6)7/h12-14H,8-11H2,1-7H3.
What are the key properties of ethyl 2-oxo-5-tri(propan-2-yl)silyloxypentanoate?
ethyl 2-oxo-5-tri(propan-2-yl)silyloxypentanoate has a molecular weight of 316.51 g/mol, XLogP of 4.09, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-5-tri(propan-2-yl)silyloxypentanoate is sourced from PubChem (CID 87894585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).