2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate

C9H15O8P — CID 174553510

IUPAC2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate
SMILESC=CC(=O)OCC(C)O.C=CC(=O)OP(=O)(O)O
InChIInChI=1S/C6H10O3.C3H5O5P/c1-3-6(8)9-4-5(2)7;1-2-3(4)8-9(5,6)7/h3,5,7H,1,4H2,2H3;2H,1H2,(H2,5,6,7)
InChIKeyNIXSXZWIXDUBTL-UHFFFAOYSA-N
MW282.19 g/mol
LogP-0.10
Rot. Bonds5

About 2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate

2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate (PubChem CID 174553510) has the molecular formula C9H15O8P and a molecular weight of 282.19 g/mol. Its IUPAC name is 2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate.

Molecular Properties

Compound Name2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate
PubChem CID174553510
Molecular FormulaC9H15O8P
Molecular Weight282.19 g/mol
Exact Mass282.05
IUPAC Name2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate
SMILESC=CC(=O)OCC(C)O.C=CC(=O)OP(=O)(O)O
InChIInChI=1S/C6H10O3.C3H5O5P/c1-3-6(8)9-4-5(2)7;1-2-3(4)8-9(5,6)7/h3,5,7H,1,4H2,2H3;2H,1H2,(H2,5,6,7)
InChIKeyNIXSXZWIXDUBTL-UHFFFAOYSA-N
XLogP-0.10
TPSA130.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
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

phosphono 2-methyl-3-prop-2-enoyloxypropanoate
CID 174544812
2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate
CID 151533065
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propyl prop-2-enoate
CID 21458421
2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid
CID 87645006
2-hydroxypropyl prop-2-enoate;2-methyloxirane
CID 87793859
(2-hydroxy-2-sulfanylethyl) prop-2-enoate
CID 150473785
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
phosphono prop-2-enoate;1,3,5-triazine-2,4,6-triamine
CID 174636064
[hydroxy(1-hydroxyethoxy)phosphoryl] prop-2-enoate
CID 22644198
(2-chloro-3-phosphonooxypropyl) prop-2-enoate
CID 150375060
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
CID 139835678

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate?
The IUPAC name of 2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate (CID 174553510) is 2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate.
What is the SMILES notation for 2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate?
The canonical SMILES for 2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate is C=CC(=O)OCC(C)O.C=CC(=O)OP(=O)(O)O.
What is the InChIKey of 2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate?
The InChIKey is NIXSXZWIXDUBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C3H5O5P/c1-3-6(8)9-4-5(2)7;1-2-3(4)8-9(5,6)7/h3,5,7H,1,4H2,2H3;2H,1H2,(H2,5,6,7).
What are the key properties of 2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate?
2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate has a molecular weight of 282.19 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate is sourced from PubChem (CID 174553510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).