(Z)-3-(5-oxo-5-tributylsilyloxypentoxy)carbonylhept-2-enoic acid

C25H46O6Si — CID 141075894

IUPAC(Z)-3-(5-oxo-5-tributylsilyloxypentoxy)carbonylhept-2-enoic acid
SMILESCCCC/C(=C/C(=O)O)C(=O)OCCCCC(=O)O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C25H46O6Si/c1-5-9-15-22(21-23(26)27)25(29)30-17-14-13-16-24(28)31-32(18-10-6-2,19-11-7-3)20-12-8-4/h21H,5-20H2,1-4H3,(H,26,27)/b22-21-
InChIKeyZLFWYWHTVBAJKM-DQRAZIAOSA-N
MW470.72 g/mol
LogP6.79
Rot. Bonds20

About (Z)-3-(5-oxo-5-tributylsilyloxypentoxy)carbonylhept-2-enoic acid

(Z)-3-(5-oxo-5-tributylsilyloxypentoxy)carbonylhept-2-enoic acid (PubChem CID 141075894) has the molecular formula C25H46O6Si and a molecular weight of 470.72 g/mol. Its IUPAC name is (Z)-3-(5-oxo-5-tributylsilyloxypentoxy)carbonylhept-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(5-oxo-5-tributylsilyloxypentoxy)carbonylhept-2-enoic acid
PubChem CID141075894
Molecular FormulaC25H46O6Si
Molecular Weight470.72 g/mol
Exact Mass470.31
IUPAC Name(Z)-3-(5-oxo-5-tributylsilyloxypentoxy)carbonylhept-2-enoic acid
SMILESCCCC/C(=C/C(=O)O)C(=O)OCCCCC(=O)O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C25H46O6Si/c1-5-9-15-22(21-23(26)27)25(29)30-17-14-13-16-24(28)31-32(18-10-6-2,19-11-7-3)20-12-8-4/h21H,5-20H2,1-4H3,(H,26,27)/b22-21-
InChIKeyZLFWYWHTVBAJKM-DQRAZIAOSA-N
XLogP6.79
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.72
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(5-oxo-5-tributylsilyloxypentoxy)carbonylhept-2-enoic acid?
The IUPAC name of (Z)-3-(5-oxo-5-tributylsilyloxypentoxy)carbonylhept-2-enoic acid (CID 141075894) is (Z)-3-(5-oxo-5-tributylsilyloxypentoxy)carbonylhept-2-enoic acid.
What is the SMILES notation for (Z)-3-(5-oxo-5-tributylsilyloxypentoxy)carbonylhept-2-enoic acid?
The canonical SMILES for (Z)-3-(5-oxo-5-tributylsilyloxypentoxy)carbonylhept-2-enoic acid is CCCC/C(=C/C(=O)O)C(=O)OCCCCC(=O)O[Si](CCCC)(CCCC)CCCC.
What is the InChIKey of (Z)-3-(5-oxo-5-tributylsilyloxypentoxy)carbonylhept-2-enoic acid?
The InChIKey is ZLFWYWHTVBAJKM-DQRAZIAOSA-N. The full InChI is InChI=1S/C25H46O6Si/c1-5-9-15-22(21-23(26)27)25(29)30-17-14-13-16-24(28)31-32(18-10-6-2,19-11-7-3)20-12-8-4/h21H,5-20H2,1-4H3,(H,26,27)/b22-21-.
What are the key properties of (Z)-3-(5-oxo-5-tributylsilyloxypentoxy)carbonylhept-2-enoic acid?
(Z)-3-(5-oxo-5-tributylsilyloxypentoxy)carbonylhept-2-enoic acid has a molecular weight of 470.72 g/mol, XLogP of 6.79, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-oxo-5-tributylsilyloxypentoxy)carbonylhept-2-enoic acid is sourced from PubChem (CID 141075894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).