potassium;hydride;[2-hydroxy-2-(hydroxymethyl)pent-4-enoyl] 2-hydroxy-2-(hydroxymethyl)pent-4-enoate

C12H19KO7 — CID 173390859

IUPACpotassium;hydride;[2-hydroxy-2-(hydroxymethyl)pent-4-enoyl] 2-hydroxy-2-(hydroxymethyl)pent-4-enoate
SMILESC=CCC(O)(CO)C(=O)OC(=O)C(O)(CO)CC=C.[H-].[K+]
InChIInChI=1S/C12H18O7.K.H/c1-3-5-11(17,7-13)9(15)19-10(16)12(18,8-14)6-4-2;;/h3-4,13-14,17-18H,1-2,5-8H2;;/q;+1;-1
InChIKeyXBJYJVTUERYWAB-UHFFFAOYSA-N
MW314.38 g/mol
LogP-4.23
Rot. Bonds8

About potassium;hydride;[2-hydroxy-2-(hydroxymethyl)pent-4-enoyl] 2-hydroxy-2-(hydroxymethyl)pent-4-enoate

potassium;hydride;[2-hydroxy-2-(hydroxymethyl)pent-4-enoyl] 2-hydroxy-2-(hydroxymethyl)pent-4-enoate (PubChem CID 173390859) has the molecular formula C12H19KO7 and a molecular weight of 314.38 g/mol. Its IUPAC name is potassium;hydride;[2-hydroxy-2-(hydroxymethyl)pent-4-enoyl] 2-hydroxy-2-(hydroxymethyl)pent-4-enoate.

Molecular Properties

Compound Namepotassium;hydride;[2-hydroxy-2-(hydroxymethyl)pent-4-enoyl] 2-hydroxy-2-(hydroxymethyl)pent-4-enoate
PubChem CID173390859
Molecular FormulaC12H19KO7
Molecular Weight314.38 g/mol
Exact Mass314.08
IUPAC Namepotassium;hydride;[2-hydroxy-2-(hydroxymethyl)pent-4-enoyl] 2-hydroxy-2-(hydroxymethyl)pent-4-enoate
SMILESC=CCC(O)(CO)C(=O)OC(=O)C(O)(CO)CC=C.[H-].[K+]
InChIInChI=1S/C12H18O7.K.H/c1-3-5-11(17,7-13)9(15)19-10(16)12(18,8-14)6-4-2;;/h3-4,13-14,17-18H,1-2,5-8H2;;/q;+1;-1
InChIKeyXBJYJVTUERYWAB-UHFFFAOYSA-N
XLogP-4.23
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 5-4.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyacetic acid;2-hydroxy-2-prop-2-enylpent-4-enoic acid
CID 88654397
1-bromo-3-hydroxy-3-prop-2-enylhex-5-en-2-one
CID 23007858
methyl 2-(hydroxymethyl)-2-methylpent-4-enoate
CID 18728417
2-prop-2-enylpent-4-ene-1,2-diol
CID 13218060
prop-2-enyl 2,2-bis(prop-2-enyl)pent-4-enoate
CID 87234106
methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]pent-4-enoate
CID 101412857
(2R)-2-fluoro-2-methylpent-4-en-1-ol
CID 57283986
[2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoyl] 2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoate
CID 141420240
4-(2-hydroxy-2-methylpent-4-enoyl)oxy-4-oxobutanoic acid
CID 174366659
pentyl 2-(hydroxymethyl)-2-prop-2-enylpent-4-enoate
CID 87378162
ethenyl 2,2-dimethylpent-4-enoate
CID 22590352
(3R)-3-hydroxy-3-phenylmethoxycarbonylhex-5-enoic acid
CID 24879672

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;[2-hydroxy-2-(hydroxymethyl)pent-4-enoyl] 2-hydroxy-2-(hydroxymethyl)pent-4-enoate?
The IUPAC name of potassium;hydride;[2-hydroxy-2-(hydroxymethyl)pent-4-enoyl] 2-hydroxy-2-(hydroxymethyl)pent-4-enoate (CID 173390859) is potassium;hydride;[2-hydroxy-2-(hydroxymethyl)pent-4-enoyl] 2-hydroxy-2-(hydroxymethyl)pent-4-enoate.
What is the SMILES notation for potassium;hydride;[2-hydroxy-2-(hydroxymethyl)pent-4-enoyl] 2-hydroxy-2-(hydroxymethyl)pent-4-enoate?
The canonical SMILES for potassium;hydride;[2-hydroxy-2-(hydroxymethyl)pent-4-enoyl] 2-hydroxy-2-(hydroxymethyl)pent-4-enoate is C=CCC(O)(CO)C(=O)OC(=O)C(O)(CO)CC=C.[H-].[K+].
What is the InChIKey of potassium;hydride;[2-hydroxy-2-(hydroxymethyl)pent-4-enoyl] 2-hydroxy-2-(hydroxymethyl)pent-4-enoate?
The InChIKey is XBJYJVTUERYWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O7.K.H/c1-3-5-11(17,7-13)9(15)19-10(16)12(18,8-14)6-4-2;;/h3-4,13-14,17-18H,1-2,5-8H2;;/q;+1;-1.
What are the key properties of potassium;hydride;[2-hydroxy-2-(hydroxymethyl)pent-4-enoyl] 2-hydroxy-2-(hydroxymethyl)pent-4-enoate?
potassium;hydride;[2-hydroxy-2-(hydroxymethyl)pent-4-enoyl] 2-hydroxy-2-(hydroxymethyl)pent-4-enoate has a molecular weight of 314.38 g/mol, XLogP of -4.23, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;[2-hydroxy-2-(hydroxymethyl)pent-4-enoyl] 2-hydroxy-2-(hydroxymethyl)pent-4-enoate is sourced from PubChem (CID 173390859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).