trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium

C7H14O5P+ — CID 154142538

IUPACtrihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
SMILESC=C(C)C(=O)OC(C)C[P+](O)(O)O
InChIInChI=1S/C7H14O5P/c1-5(2)7(8)12-6(3)4-13(9,10)11/h6,9-11H,1,4H2,2-3H3/q+1
InChIKeyIHZUGCBTOZUWJS-UHFFFAOYSA-N
MW209.16 g/mol
LogP0.23
Rot. Bonds4

About trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium

trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium (PubChem CID 154142538) has the molecular formula C7H14O5P+ and a molecular weight of 209.16 g/mol. Its IUPAC name is trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium.

Molecular Properties

Compound Nametrihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
PubChem CID154142538
Molecular FormulaC7H14O5P+
Molecular Weight209.16 g/mol
Exact Mass209.06
IUPAC Nametrihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
SMILESC=C(C)C(=O)OC(C)C[P+](O)(O)O
InChIInChI=1S/C7H14O5P/c1-5(2)7(8)12-6(3)4-13(9,10)11/h6,9-11H,1,4H2,2-3H3/q+1
InChIKeyIHZUGCBTOZUWJS-UHFFFAOYSA-N
XLogP0.23
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 50.23
H-Bond Donors ≤ 53
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

[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
2-(2-methylprop-2-enoyloxy)propylphosphonic acid
CID 19789204
1-[2-(2-methylprop-2-enoyloxy)propoxyperoxy]propan-2-yl 2-methylprop-2-enoate
CID 90187084
propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate
CID 174221047
[2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 19428958
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
2-(2-methylprop-2-enoyloxy)propoxyazanium chloride
CID 19386098
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-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 54304297
butanedioic acid;1-hydroxypropan-2-yl 2-methylprop-2-enoate
CID 174487029

Frequently Asked Questions

What is the IUPAC name of trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium?
The IUPAC name of trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium (CID 154142538) is trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium.
What is the SMILES notation for trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium?
The canonical SMILES for trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium is C=C(C)C(=O)OC(C)C[P+](O)(O)O.
What is the InChIKey of trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium?
The InChIKey is IHZUGCBTOZUWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5P/c1-5(2)7(8)12-6(3)4-13(9,10)11/h6,9-11H,1,4H2,2-3H3/q+1.
What are the key properties of trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium?
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium has a molecular weight of 209.16 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium is sourced from PubChem (CID 154142538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).