hydroxy-(2-hydroxy-2-methyl-3-oxopent-4-enoxy)-oxophosphanium

C6H10O5P+ — CID 174761402

IUPAChydroxy-(2-hydroxy-2-methyl-3-oxopent-4-enoxy)-oxophosphanium
SMILESC=CC(=O)C(C)(O)CO[P+](=O)O
InChIInChI=1S/C6H9O5P/c1-3-5(7)6(2,8)4-11-12(9)10/h3,8H,1,4H2,2H3/p+1
InChIKeyQSFPAIHLFAIDAH-UHFFFAOYSA-O
MW193.11 g/mol
LogP0.16
Rot. Bonds5

About hydroxy-(2-hydroxy-2-methyl-3-oxopent-4-enoxy)-oxophosphanium

hydroxy-(2-hydroxy-2-methyl-3-oxopent-4-enoxy)-oxophosphanium (PubChem CID 174761402) has the molecular formula C6H10O5P+ and a molecular weight of 193.11 g/mol. Its IUPAC name is hydroxy-(2-hydroxy-2-methyl-3-oxopent-4-enoxy)-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(2-hydroxy-2-methyl-3-oxopent-4-enoxy)-oxophosphanium
PubChem CID174761402
Molecular FormulaC6H10O5P+
Molecular Weight193.11 g/mol
Exact Mass193.03
IUPAC Namehydroxy-(2-hydroxy-2-methyl-3-oxopent-4-enoxy)-oxophosphanium
SMILESC=CC(=O)C(C)(O)CO[P+](=O)O
InChIInChI=1S/C6H9O5P/c1-3-5(7)6(2,8)4-11-12(9)10/h3,8H,1,4H2,2H3/p+1
InChIKeyQSFPAIHLFAIDAH-UHFFFAOYSA-O
XLogP0.16
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.11
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(2-hydroxy-2-methyl-3-oxopent-4-enyl) prop-2-enoate
CID 174578379
3-hydroxy-3-methyl-4-oxohex-5-enoic acid
CID 174505958
4,6-dihydroxy-4-methylhept-1-en-3-one
CID 174571199
hydroxy-oxo-(2,2,4,4-tetramethylpentoxy)phosphanium
CID 130434432
2,2-dimethylpropoxycarbonyloxymethoxy-hydroxy-oxophosphanium
CID 175510991
4,4-difluoropent-1-en-3-one
CID 89392918
[3-bromo-2,2-bis(bromomethyl)propoxy]-hydroxy-oxophosphanium
CID 172748719
ethane-1,1,1-triol;tris(prop-2-enoic acid)
CID 159443056
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
[4-(2-hydroxy-2-methyl-3-oxopent-4-enyl)phenyl] dihydrogen phosphate
CID 174408974
2-ethoxy-2-methyl-3-oxopent-4-enoic acid
CID 174884314
hydroxy-oxo-(4-prop-2-enoyloxypentan-2-yloxy)phosphanium
CID 174761125

Frequently Asked Questions

What is the IUPAC name of hydroxy-(2-hydroxy-2-methyl-3-oxopent-4-enoxy)-oxophosphanium?
The IUPAC name of hydroxy-(2-hydroxy-2-methyl-3-oxopent-4-enoxy)-oxophosphanium (CID 174761402) is hydroxy-(2-hydroxy-2-methyl-3-oxopent-4-enoxy)-oxophosphanium.
What is the SMILES notation for hydroxy-(2-hydroxy-2-methyl-3-oxopent-4-enoxy)-oxophosphanium?
The canonical SMILES for hydroxy-(2-hydroxy-2-methyl-3-oxopent-4-enoxy)-oxophosphanium is C=CC(=O)C(C)(O)CO[P+](=O)O.
What is the InChIKey of hydroxy-(2-hydroxy-2-methyl-3-oxopent-4-enoxy)-oxophosphanium?
The InChIKey is QSFPAIHLFAIDAH-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H9O5P/c1-3-5(7)6(2,8)4-11-12(9)10/h3,8H,1,4H2,2H3/p+1.
What are the key properties of hydroxy-(2-hydroxy-2-methyl-3-oxopent-4-enoxy)-oxophosphanium?
hydroxy-(2-hydroxy-2-methyl-3-oxopent-4-enoxy)-oxophosphanium has a molecular weight of 193.11 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(2-hydroxy-2-methyl-3-oxopent-4-enoxy)-oxophosphanium is sourced from PubChem (CID 174761402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).