(Z)-3-(3-oxo-3-triethylsilyloxypropoxy)carbonylpent-2-enoic acid

C15H26O6Si — CID 141076030

IUPAC(Z)-3-(3-oxo-3-triethylsilyloxypropoxy)carbonylpent-2-enoic acid
SMILESCC/C(=C/C(=O)O)C(=O)OCCC(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C15H26O6Si/c1-5-12(11-13(16)17)15(19)20-10-9-14(18)21-22(6-2,7-3)8-4/h11H,5-10H2,1-4H3,(H,16,17)/b12-11-
InChIKeyYPEYCAYIMMEWKV-QXMHVHEDSA-N
MW330.45 g/mol
LogP2.89
Rot. Bonds10

About (Z)-3-(3-oxo-3-triethylsilyloxypropoxy)carbonylpent-2-enoic acid

(Z)-3-(3-oxo-3-triethylsilyloxypropoxy)carbonylpent-2-enoic acid (PubChem CID 141076030) has the molecular formula C15H26O6Si and a molecular weight of 330.45 g/mol. Its IUPAC name is (Z)-3-(3-oxo-3-triethylsilyloxypropoxy)carbonylpent-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(3-oxo-3-triethylsilyloxypropoxy)carbonylpent-2-enoic acid
PubChem CID141076030
Molecular FormulaC15H26O6Si
Molecular Weight330.45 g/mol
Exact Mass330.15
IUPAC Name(Z)-3-(3-oxo-3-triethylsilyloxypropoxy)carbonylpent-2-enoic acid
SMILESCC/C(=C/C(=O)O)C(=O)OCCC(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C15H26O6Si/c1-5-12(11-13(16)17)15(19)20-10-9-14(18)21-22(6-2,7-3)8-4/h11H,5-10H2,1-4H3,(H,16,17)/b12-11-
InChIKeyYPEYCAYIMMEWKV-QXMHVHEDSA-N
XLogP2.89
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-oxo-3-triethylsilyloxypropoxy)carbonylpent-2-enoic acid?
The IUPAC name of (Z)-3-(3-oxo-3-triethylsilyloxypropoxy)carbonylpent-2-enoic acid (CID 141076030) is (Z)-3-(3-oxo-3-triethylsilyloxypropoxy)carbonylpent-2-enoic acid.
What is the SMILES notation for (Z)-3-(3-oxo-3-triethylsilyloxypropoxy)carbonylpent-2-enoic acid?
The canonical SMILES for (Z)-3-(3-oxo-3-triethylsilyloxypropoxy)carbonylpent-2-enoic acid is CC/C(=C/C(=O)O)C(=O)OCCC(=O)O[Si](CC)(CC)CC.
What is the InChIKey of (Z)-3-(3-oxo-3-triethylsilyloxypropoxy)carbonylpent-2-enoic acid?
The InChIKey is YPEYCAYIMMEWKV-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H26O6Si/c1-5-12(11-13(16)17)15(19)20-10-9-14(18)21-22(6-2,7-3)8-4/h11H,5-10H2,1-4H3,(H,16,17)/b12-11-.
What are the key properties of (Z)-3-(3-oxo-3-triethylsilyloxypropoxy)carbonylpent-2-enoic acid?
(Z)-3-(3-oxo-3-triethylsilyloxypropoxy)carbonylpent-2-enoic acid has a molecular weight of 330.45 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-oxo-3-triethylsilyloxypropoxy)carbonylpent-2-enoic acid is sourced from PubChem (CID 141076030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).