2-[[(Z)-2-[dimethyl(phenyl)silyl]-5-[(2-methylpropan-2-yl)oxy]pent-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

C24H39NO5Si — CID 11259458

IUPAC2-[[(Z)-2-[dimethyl(phenyl)silyl]-5-[(2-methylpropan-2-yl)oxy]pent-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(C)(C)OCC/C=C(/CN(CC(=O)O)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H39NO5Si/c1-23(2,3)29-16-12-15-20(31(7,8)19-13-10-9-11-14-19)17-25(18-21(26)27)22(28)30-24(4,5)6/h9-11,13-15H,12,16-18H2,1-8H3,(H,26,27)/b20-15-
InChIKeyGCBFWVAPJXWQEE-HKWRFOASSA-N
MW449.66 g/mol
LogP4.59
Rot. Bonds9

About 2-[[(Z)-2-[dimethyl(phenyl)silyl]-5-[(2-methylpropan-2-yl)oxy]pent-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

2-[[(Z)-2-[dimethyl(phenyl)silyl]-5-[(2-methylpropan-2-yl)oxy]pent-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (PubChem CID 11259458) has the molecular formula C24H39NO5Si and a molecular weight of 449.66 g/mol. Its IUPAC name is 2-[[(Z)-2-[dimethyl(phenyl)silyl]-5-[(2-methylpropan-2-yl)oxy]pent-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(Z)-2-[dimethyl(phenyl)silyl]-5-[(2-methylpropan-2-yl)oxy]pent-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
PubChem CID11259458
Molecular FormulaC24H39NO5Si
Molecular Weight449.66 g/mol
Exact Mass449.26
IUPAC Name2-[[(Z)-2-[dimethyl(phenyl)silyl]-5-[(2-methylpropan-2-yl)oxy]pent-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(C)(C)OCC/C=C(/CN(CC(=O)O)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H39NO5Si/c1-23(2,3)29-16-12-15-20(31(7,8)19-13-10-9-11-14-19)17-25(18-21(26)27)22(28)30-24(4,5)6/h9-11,13-15H,12,16-18H2,1-8H3,(H,26,27)/b20-15-
InChIKeyGCBFWVAPJXWQEE-HKWRFOASSA-N
XLogP4.59
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.66
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-2-[dimethyl(phenyl)silyl]-5-[(2-methylpropan-2-yl)oxy]pent-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The IUPAC name of 2-[[(Z)-2-[dimethyl(phenyl)silyl]-5-[(2-methylpropan-2-yl)oxy]pent-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (CID 11259458) is 2-[[(Z)-2-[dimethyl(phenyl)silyl]-5-[(2-methylpropan-2-yl)oxy]pent-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(Z)-2-[dimethyl(phenyl)silyl]-5-[(2-methylpropan-2-yl)oxy]pent-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(Z)-2-[dimethyl(phenyl)silyl]-5-[(2-methylpropan-2-yl)oxy]pent-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is CC(C)(C)OCC/C=C(/CN(CC(=O)O)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of 2-[[(Z)-2-[dimethyl(phenyl)silyl]-5-[(2-methylpropan-2-yl)oxy]pent-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The InChIKey is GCBFWVAPJXWQEE-HKWRFOASSA-N. The full InChI is InChI=1S/C24H39NO5Si/c1-23(2,3)29-16-12-15-20(31(7,8)19-13-10-9-11-14-19)17-25(18-21(26)27)22(28)30-24(4,5)6/h9-11,13-15H,12,16-18H2,1-8H3,(H,26,27)/b20-15-.
What are the key properties of 2-[[(Z)-2-[dimethyl(phenyl)silyl]-5-[(2-methylpropan-2-yl)oxy]pent-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
2-[[(Z)-2-[dimethyl(phenyl)silyl]-5-[(2-methylpropan-2-yl)oxy]pent-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid has a molecular weight of 449.66 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2-[dimethyl(phenyl)silyl]-5-[(2-methylpropan-2-yl)oxy]pent-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is sourced from PubChem (CID 11259458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).