tert-butyl 3-[ethenyl(phenylmethoxy)phosphoryl]propanoate

C16H23O4P — CID 138602821

IUPACtert-butyl 3-[ethenyl(phenylmethoxy)phosphoryl]propanoate
SMILESC=CP(=O)(CCC(=O)OC(C)(C)C)OCc1ccccc1
InChIInChI=1S/C16H23O4P/c1-5-21(18,12-11-15(17)20-16(2,3)4)19-13-14-9-7-6-8-10-14/h5-10H,1,11-13H2,2-4H3
InChIKeyXXCOVDRAZPOUAH-UHFFFAOYSA-N
MW310.33 g/mol
LogP4.36
Rot. Bonds7

About tert-butyl 3-[ethenyl(phenylmethoxy)phosphoryl]propanoate

tert-butyl 3-[ethenyl(phenylmethoxy)phosphoryl]propanoate (PubChem CID 138602821) has the molecular formula C16H23O4P and a molecular weight of 310.33 g/mol. Its IUPAC name is tert-butyl 3-[ethenyl(phenylmethoxy)phosphoryl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[ethenyl(phenylmethoxy)phosphoryl]propanoate
PubChem CID138602821
Molecular FormulaC16H23O4P
Molecular Weight310.33 g/mol
Exact Mass310.13
IUPAC Nametert-butyl 3-[ethenyl(phenylmethoxy)phosphoryl]propanoate
SMILESC=CP(=O)(CCC(=O)OC(C)(C)C)OCc1ccccc1
InChIInChI=1S/C16H23O4P/c1-5-21(18,12-11-15(17)20-16(2,3)4)19-13-14-9-7-6-8-10-14/h5-10H,1,11-13H2,2-4H3
InChIKeyXXCOVDRAZPOUAH-UHFFFAOYSA-N
XLogP4.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-O,1-O-dibenzyl 3-O-tert-butyl propane-1,1,3-tricarboxylate
CID 11315892
benzyl carbamate;tert-butyl 3-fluoropropanoate
CID 142900650
tert-butyl 4-oxo-5-phenylpentanoate
CID 119056831
1-O-benzyl 5-O-tert-butyl 2-aminopentanedioate;hydrochloride
CID 118797500
tert-butyl 3-[benzyl(prop-2-enyl)amino]propanoate
CID 102165684
benzyl tert-butyl hydrogen phosphate
CID 140989025
tert-butyl 3-(benzylamino)propanoate
CID 10776134
tert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate
CID 14182511
1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808
2,3-diamino-6-[(2-methylpropan-2-yl)oxy]-6-oxo-2-phenylmethoxycarbonylhexanoic acid
CID 174424737
tert-butyl 3,3-diamino-3-phenylmethoxypropanoate
CID 174431834
tert-butyl 3-oxo-4-phenylmethoxybutanoate
CID 12035485

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[ethenyl(phenylmethoxy)phosphoryl]propanoate?
The IUPAC name of tert-butyl 3-[ethenyl(phenylmethoxy)phosphoryl]propanoate (CID 138602821) is tert-butyl 3-[ethenyl(phenylmethoxy)phosphoryl]propanoate.
What is the SMILES notation for tert-butyl 3-[ethenyl(phenylmethoxy)phosphoryl]propanoate?
The canonical SMILES for tert-butyl 3-[ethenyl(phenylmethoxy)phosphoryl]propanoate is C=CP(=O)(CCC(=O)OC(C)(C)C)OCc1ccccc1.
What is the InChIKey of tert-butyl 3-[ethenyl(phenylmethoxy)phosphoryl]propanoate?
The InChIKey is XXCOVDRAZPOUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23O4P/c1-5-21(18,12-11-15(17)20-16(2,3)4)19-13-14-9-7-6-8-10-14/h5-10H,1,11-13H2,2-4H3.
What are the key properties of tert-butyl 3-[ethenyl(phenylmethoxy)phosphoryl]propanoate?
tert-butyl 3-[ethenyl(phenylmethoxy)phosphoryl]propanoate has a molecular weight of 310.33 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[ethenyl(phenylmethoxy)phosphoryl]propanoate is sourced from PubChem (CID 138602821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).