methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

C20H31NO4Si — CID 10833465

IUPACmethyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESC/C=C(/CN(CC(=O)OC)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H31NO4Si/c1-8-16(26(6,7)17-12-10-9-11-13-17)14-21(15-18(22)24-5)19(23)25-20(2,3)4/h8-13H,14-15H2,1-7H3/b16-8-
InChIKeySPNMEAOTTNQTRI-PXNMLYILSA-N
MW377.56 g/mol
LogP3.50
Rot. Bonds6

About methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (PubChem CID 10833465) has the molecular formula C20H31NO4Si and a molecular weight of 377.56 g/mol. Its IUPAC name is methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
PubChem CID10833465
Molecular FormulaC20H31NO4Si
Molecular Weight377.56 g/mol
Exact Mass377.20
IUPAC Namemethyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESC/C=C(/CN(CC(=O)OC)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H31NO4Si/c1-8-16(26(6,7)17-12-10-9-11-13-17)14-21(15-18(22)24-5)19(23)25-20(2,3)4/h8-13H,14-15H2,1-7H3/b16-8-
InChIKeySPNMEAOTTNQTRI-PXNMLYILSA-N
XLogP3.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 53.50
H-Bond Donors ≤ 50
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 methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The IUPAC name of methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (CID 10833465) is methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is C/C=C(/CN(CC(=O)OC)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The InChIKey is SPNMEAOTTNQTRI-PXNMLYILSA-N. The full InChI is InChI=1S/C20H31NO4Si/c1-8-16(26(6,7)17-12-10-9-11-13-17)14-21(15-18(22)24-5)19(23)25-20(2,3)4/h8-13H,14-15H2,1-7H3/b16-8-.
What are the key properties of methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate has a molecular weight of 377.56 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is sourced from PubChem (CID 10833465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).