(4-hydroxy-2,6-dioxooxan-4-yl) formate

C6H6O6 — CID 153489332

IUPAC(4-hydroxy-2,6-dioxooxan-4-yl) formate
SMILESO=COC1(O)CC(=O)OC(=O)C1
InChIInChI=1S/C6H6O6/c7-3-11-6(10)1-4(8)12-5(9)2-6/h3,10H,1-2H2
InChIKeyFUIYYMGTVNZJTH-UHFFFAOYSA-N
MW174.11 g/mol
LogP-1.29
Rot. Bonds2

About (4-hydroxy-2,6-dioxooxan-4-yl) formate

(4-hydroxy-2,6-dioxooxan-4-yl) formate (PubChem CID 153489332) has the molecular formula C6H6O6 and a molecular weight of 174.11 g/mol. Its IUPAC name is (4-hydroxy-2,6-dioxooxan-4-yl) formate.

Molecular Properties

Compound Name(4-hydroxy-2,6-dioxooxan-4-yl) formate
PubChem CID153489332
Molecular FormulaC6H6O6
Molecular Weight174.11 g/mol
Exact Mass174.02
IUPAC Name(4-hydroxy-2,6-dioxooxan-4-yl) formate
SMILESO=COC1(O)CC(=O)OC(=O)C1
InChIInChI=1S/C6H6O6/c7-3-11-6(10)1-4(8)12-5(9)2-6/h3,10H,1-2H2
InChIKeyFUIYYMGTVNZJTH-UHFFFAOYSA-N
XLogP-1.29
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[9-(carboxymethyl)-3,9-dihydroxy-2,5,7,10-tetraoxo-1,6-dioxecan-3-yl]acetic acid;3-ethyl-3-hydroxyoxolane-2,5-dione;(1-hydroxy-3,5-dioxocyclohexyl) formate
CID 163673626
(4-methyl-2-oxooxan-4-yl) formate
CID 54294385
3-chloro-3-hydroxyoxolane-2,5-dione
CID 91503730
(5,6-difluoro-2-hydroxy-1,3-dihydroinden-2-yl)methyl formate
CID 174794278
3-[(E)-hex-2-enyl]-3-hydroxy-1,6-dioxecane-2,5,7,10-tetrone
CID 139778448
(1-chloro-4,4-dimethyl-2,6-dioxocyclohexyl) formate
CID 12664635
(1Z)-6-hydroxy-3,9,10-trioxabicyclo[4.3.2]undec-1-ene-4,8,11-trione
CID 141318999
3,9-dioxaspiro[5.5]undecane-2,4-dione
CID 138991363
4-hydroxy-4-phenyl-5-sulfanylideneoxolan-2-one
CID 88698879
(3,4,4-trimethyl-5-oxooxolan-3-yl) formate
CID 126663955
4-methyl-4-[4-(1-methyl-3,5-dioxocyclohexyl)phenyl]oxane-2,6-dione
CID 89182206
3-propyl-3-trimethoxysilyloxolane-2,5-dione
CID 140683995

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2,6-dioxooxan-4-yl) formate?
The IUPAC name of (4-hydroxy-2,6-dioxooxan-4-yl) formate (CID 153489332) is (4-hydroxy-2,6-dioxooxan-4-yl) formate.
What is the SMILES notation for (4-hydroxy-2,6-dioxooxan-4-yl) formate?
The canonical SMILES for (4-hydroxy-2,6-dioxooxan-4-yl) formate is O=COC1(O)CC(=O)OC(=O)C1.
What is the InChIKey of (4-hydroxy-2,6-dioxooxan-4-yl) formate?
The InChIKey is FUIYYMGTVNZJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O6/c7-3-11-6(10)1-4(8)12-5(9)2-6/h3,10H,1-2H2.
What are the key properties of (4-hydroxy-2,6-dioxooxan-4-yl) formate?
(4-hydroxy-2,6-dioxooxan-4-yl) formate has a molecular weight of 174.11 g/mol, XLogP of -1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2,6-dioxooxan-4-yl) formate is sourced from PubChem (CID 153489332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).