[1-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-oxido-oxophosphanium

C7H11O5P — CID 175530429

IUPAC[1-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-oxido-oxophosphanium
SMILESC=C(C)C(=O)OC(O)(CC)[P+](=O)[O-]
InChIInChI=1S/C7H11O5P/c1-4-7(9,13(10)11)12-6(8)5(2)3/h9H,2,4H2,1,3H3
InChIKeyFJJYJTYMTLTPKQ-UHFFFAOYSA-N
MW206.13 g/mol
LogP0.26
Rot. Bonds4

About [1-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-oxido-oxophosphanium

[1-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-oxido-oxophosphanium (PubChem CID 175530429) has the molecular formula C7H11O5P and a molecular weight of 206.13 g/mol. Its IUPAC name is [1-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-oxido-oxophosphanium.

Molecular Properties

Compound Name[1-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-oxido-oxophosphanium
PubChem CID175530429
Molecular FormulaC7H11O5P
Molecular Weight206.13 g/mol
Exact Mass206.03
IUPAC Name[1-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-oxido-oxophosphanium
SMILESC=C(C)C(=O)OC(O)(CC)[P+](=O)[O-]
InChIInChI=1S/C7H11O5P/c1-4-7(9,13(10)11)12-6(8)5(2)3/h9H,2,4H2,1,3H3
InChIKeyFJJYJTYMTLTPKQ-UHFFFAOYSA-N
XLogP0.26
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
3-hydroxyhex-5-en-3-yl 2-methylprop-2-enoate
CID 87364326
(2-cyano-3-hydroxypent-1-en-3-yl) 2-methylprop-2-enoate
CID 141169453
[4-ethyl-1,4-dihydroxy-3-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate
CID 140807532
methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium
CID 59049083
1,1,2-triaminoethyl 2-methylprop-2-enoate;hydrochloride
CID 87615318
(2R)-2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoic acid
CID 97052188
3-methylpent-1-yn-3-yl 2-methylprop-2-enoate
CID 54513206
2-ethoxybutan-2-yl 2-methylprop-2-enoate
CID 175455949
[2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 139619196
hydroxy-dimethyl-[2-(2-methylprop-2-enoyloxy)butan-2-yl]azanium
CID 87307438
2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate
CID 141014982

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-oxido-oxophosphanium?
The IUPAC name of [1-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-oxido-oxophosphanium (CID 175530429) is [1-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-oxido-oxophosphanium.
What is the SMILES notation for [1-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-oxido-oxophosphanium?
The canonical SMILES for [1-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-oxido-oxophosphanium is C=C(C)C(=O)OC(O)(CC)[P+](=O)[O-].
What is the InChIKey of [1-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-oxido-oxophosphanium?
The InChIKey is FJJYJTYMTLTPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O5P/c1-4-7(9,13(10)11)12-6(8)5(2)3/h9H,2,4H2,1,3H3.
What are the key properties of [1-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-oxido-oxophosphanium?
[1-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-oxido-oxophosphanium has a molecular weight of 206.13 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-oxido-oxophosphanium is sourced from PubChem (CID 175530429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).