[propan-2-yloxy(prop-2-enoyloxy)phosphoryl] prop-2-enoate

C9H13O6P — CID 175013848

IUPAC[propan-2-yloxy(prop-2-enoyloxy)phosphoryl] prop-2-enoate
SMILESC=CC(=O)OP(=O)(OC(=O)C=C)OC(C)C
InChIInChI=1S/C9H13O6P/c1-5-8(10)14-16(12,13-7(3)4)15-9(11)6-2/h5-7H,1-2H2,3-4H3
InChIKeyYARAKPYDWPPXMT-UHFFFAOYSA-N
MW248.17 g/mol
LogP1.98
Rot. Bonds6

About [propan-2-yloxy(prop-2-enoyloxy)phosphoryl] prop-2-enoate

[propan-2-yloxy(prop-2-enoyloxy)phosphoryl] prop-2-enoate (PubChem CID 175013848) has the molecular formula C9H13O6P and a molecular weight of 248.17 g/mol. Its IUPAC name is [propan-2-yloxy(prop-2-enoyloxy)phosphoryl] prop-2-enoate.

Molecular Properties

Compound Name[propan-2-yloxy(prop-2-enoyloxy)phosphoryl] prop-2-enoate
PubChem CID175013848
Molecular FormulaC9H13O6P
Molecular Weight248.17 g/mol
Exact Mass248.04
IUPAC Name[propan-2-yloxy(prop-2-enoyloxy)phosphoryl] prop-2-enoate
SMILESC=CC(=O)OP(=O)(OC(=O)C=C)OC(C)C
InChIInChI=1S/C9H13O6P/c1-5-8(10)14-16(12,13-7(3)4)15-9(11)6-2/h5-7H,1-2H2,3-4H3
InChIKeyYARAKPYDWPPXMT-UHFFFAOYSA-N
XLogP1.98
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[hydroxy(1-hydroxyethoxy)phosphoryl] prop-2-enoate
CID 22644198
1-dimethoxyphosphoryloxyethyl prop-2-enoate
CID 21386963
2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate
CID 174553510
ethyl(prop-2-enoyloxy)phosphinic acid
CID 174324939
[methyl-[(2-methylpropan-2-yl)oxy]phosphoryl] prop-2-enoate
CID 174794227
ethenyl propan-2-yl hydrogen phosphate
CID 101139347
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
methyl prop-2-enoate;phosphoric acid
CID 174689976
phosphono 2-methyl-3-prop-2-enoyloxypropanoate
CID 174544812
2-dimethylphosphoryloxypropane
CID 12572720
sodium;hydride;[methoxy(pentoxy)phosphoryl] prop-2-enoate
CID 174941326
methane;methyl dipropan-2-yl phosphate
CID 158565801

Frequently Asked Questions

What is the IUPAC name of [propan-2-yloxy(prop-2-enoyloxy)phosphoryl] prop-2-enoate?
The IUPAC name of [propan-2-yloxy(prop-2-enoyloxy)phosphoryl] prop-2-enoate (CID 175013848) is [propan-2-yloxy(prop-2-enoyloxy)phosphoryl] prop-2-enoate.
What is the SMILES notation for [propan-2-yloxy(prop-2-enoyloxy)phosphoryl] prop-2-enoate?
The canonical SMILES for [propan-2-yloxy(prop-2-enoyloxy)phosphoryl] prop-2-enoate is C=CC(=O)OP(=O)(OC(=O)C=C)OC(C)C.
What is the InChIKey of [propan-2-yloxy(prop-2-enoyloxy)phosphoryl] prop-2-enoate?
The InChIKey is YARAKPYDWPPXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O6P/c1-5-8(10)14-16(12,13-7(3)4)15-9(11)6-2/h5-7H,1-2H2,3-4H3.
What are the key properties of [propan-2-yloxy(prop-2-enoyloxy)phosphoryl] prop-2-enoate?
[propan-2-yloxy(prop-2-enoyloxy)phosphoryl] prop-2-enoate has a molecular weight of 248.17 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [propan-2-yloxy(prop-2-enoyloxy)phosphoryl] prop-2-enoate is sourced from PubChem (CID 175013848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).