1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate

C6H11O5P — CID 151009966

IUPAC1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)COP(O)O
InChIInChI=1S/C6H11O5P/c1-3-6(7)11-5(2)4-10-12(8)9/h3,5,8-9H,1,4H2,2H3
InChIKeyXIIDJAVQEGHNGL-UHFFFAOYSA-N
MW194.12 g/mol
LogP0.33
Rot. Bonds5

About 1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate

1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate (PubChem CID 151009966) has the molecular formula C6H11O5P and a molecular weight of 194.12 g/mol. Its IUPAC name is 1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate
PubChem CID151009966
Molecular FormulaC6H11O5P
Molecular Weight194.12 g/mol
Exact Mass194.03
IUPAC Name1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)COP(O)O
InChIInChI=1S/C6H11O5P/c1-3-6(7)11-5(2)4-10-12(8)9/h3,5,8-9H,1,4H2,2H3
InChIKeyXIIDJAVQEGHNGL-UHFFFAOYSA-N
XLogP0.33
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
1-acetyloxypropan-2-yl prop-2-enoate
CID 87413306
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 139889526
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 121420632
2-prop-2-enoyloxypropyl 3-methylbutanoate
CID 170544082
CID 172734708
CID 172734708
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
2-prop-2-enoyloxypropyl (E)-but-2-enoate
CID 174502403
5-methylhexan-2-yl prop-2-enoate
CID 151222941
4-methylpent-4-en-2-yl prop-2-enoate
CID 102248237
4-oxo-4-[(2R)-2-prop-2-enoyloxypropoxy]butanoic acid
CID 134236430
1-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate
CID 20554752

Frequently Asked Questions

What is the IUPAC name of 1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate?
The IUPAC name of 1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate (CID 151009966) is 1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate.
What is the SMILES notation for 1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate?
The canonical SMILES for 1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate is C=CC(=O)OC(C)COP(O)O.
What is the InChIKey of 1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate?
The InChIKey is XIIDJAVQEGHNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O5P/c1-3-6(7)11-5(2)4-10-12(8)9/h3,5,8-9H,1,4H2,2H3.
What are the key properties of 1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate?
1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate has a molecular weight of 194.12 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate is sourced from PubChem (CID 151009966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).