3-[methyl-[2-(2-methylprop-2-enoyloxy)propoxy]phosphoryl]propanoic acid

C11H19O6P — CID 58974134

IUPAC3-[methyl-[2-(2-methylprop-2-enoyloxy)propoxy]phosphoryl]propanoic acid
SMILESC=C(C)C(=O)OC(C)COP(C)(=O)CCC(=O)O
InChIInChI=1S/C11H19O6P/c1-8(2)11(14)17-9(3)7-16-18(4,15)6-5-10(12)13/h9H,1,5-7H2,2-4H3,(H,12,13)
InChIKeyOUGVXBIWNUWWCX-UHFFFAOYSA-N
MW278.24 g/mol
LogP1.89
Rot. Bonds8

About 3-[methyl-[2-(2-methylprop-2-enoyloxy)propoxy]phosphoryl]propanoic acid

3-[methyl-[2-(2-methylprop-2-enoyloxy)propoxy]phosphoryl]propanoic acid (PubChem CID 58974134) has the molecular formula C11H19O6P and a molecular weight of 278.24 g/mol. Its IUPAC name is 3-[methyl-[2-(2-methylprop-2-enoyloxy)propoxy]phosphoryl]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-(2-methylprop-2-enoyloxy)propoxy]phosphoryl]propanoic acid
PubChem CID58974134
Molecular FormulaC11H19O6P
Molecular Weight278.24 g/mol
Exact Mass278.09
IUPAC Name3-[methyl-[2-(2-methylprop-2-enoyloxy)propoxy]phosphoryl]propanoic acid
SMILESC=C(C)C(=O)OC(C)COP(C)(=O)CCC(=O)O
InChIInChI=1S/C11H19O6P/c1-8(2)11(14)17-9(3)7-16-18(4,15)6-5-10(12)13/h9H,1,5-7H2,2-4H3,(H,12,13)
InChIKeyOUGVXBIWNUWWCX-UHFFFAOYSA-N
XLogP1.89
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
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

3-[ethyl-[2-(2-methylprop-2-enoyloxy)propoxy]phosphoryl]propanoic acid
CID 58974136
6-[2-(2-methylprop-2-enoyloxy)propoxy]-6-oxohexanoic acid
CID 87076914
butanedioic acid;1-hydroxypropan-2-yl 2-methylprop-2-enoate
CID 174487029
1-[2-(2-methylprop-2-enoyloxy)propoxyperoxy]propan-2-yl 2-methylprop-2-enoate
CID 90187084
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
2-(2-methylprop-2-enoyloxy)propoxyazanium chloride
CID 19386098
2-(2-methylprop-2-enoyloxy)propylphosphonic acid
CID 19789204
1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 56999639
1-[bis[2-(2-methylprop-2-enoyloxy)propoxy]phosphanyloxy]propan-2-yl 2-methylprop-2-enoate
CID 139653960
1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 22918055
1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 19734689
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(2-methylprop-2-enoyloxy)propoxy]phosphoryl]propanoic acid?
The IUPAC name of 3-[methyl-[2-(2-methylprop-2-enoyloxy)propoxy]phosphoryl]propanoic acid (CID 58974134) is 3-[methyl-[2-(2-methylprop-2-enoyloxy)propoxy]phosphoryl]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-(2-methylprop-2-enoyloxy)propoxy]phosphoryl]propanoic acid?
The canonical SMILES for 3-[methyl-[2-(2-methylprop-2-enoyloxy)propoxy]phosphoryl]propanoic acid is C=C(C)C(=O)OC(C)COP(C)(=O)CCC(=O)O.
What is the InChIKey of 3-[methyl-[2-(2-methylprop-2-enoyloxy)propoxy]phosphoryl]propanoic acid?
The InChIKey is OUGVXBIWNUWWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19O6P/c1-8(2)11(14)17-9(3)7-16-18(4,15)6-5-10(12)13/h9H,1,5-7H2,2-4H3,(H,12,13).
What are the key properties of 3-[methyl-[2-(2-methylprop-2-enoyloxy)propoxy]phosphoryl]propanoic acid?
3-[methyl-[2-(2-methylprop-2-enoyloxy)propoxy]phosphoryl]propanoic acid has a molecular weight of 278.24 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(2-methylprop-2-enoyloxy)propoxy]phosphoryl]propanoic acid is sourced from PubChem (CID 58974134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).