2-[(10E)-4-hydroxy-3,6,9,12-tetraoxo-1,2,7,8-tetraoxacyclododec-10-en-4-yl]acetic acid

C10H8O11 — CID 139935736

IUPAC2-[(10E)-4-hydroxy-3,6,9,12-tetraoxo-1,2,7,8-tetraoxacyclododec-10-en-4-yl]acetic acid
SMILESO=C(O)CC1(O)CC(=O)OOC(=O)/C=C/C(=O)OOC1=O
InChIInChI=1S/C10H8O11/c11-5(12)3-10(17)4-8(15)20-18-6(13)1-2-7(14)19-21-9(10)16/h1-2,17H,3-4H2,(H,11,12)/b2-1+
InChIKeyUDAFWJIIKBAPJL-OWOJBTEDSA-N
MW304.16 g/mol
LogP-1.85
Rot. Bonds2

About 2-[(10E)-4-hydroxy-3,6,9,12-tetraoxo-1,2,7,8-tetraoxacyclododec-10-en-4-yl]acetic acid

2-[(10E)-4-hydroxy-3,6,9,12-tetraoxo-1,2,7,8-tetraoxacyclododec-10-en-4-yl]acetic acid (PubChem CID 139935736) has the molecular formula C10H8O11 and a molecular weight of 304.16 g/mol. Its IUPAC name is 2-[(10E)-4-hydroxy-3,6,9,12-tetraoxo-1,2,7,8-tetraoxacyclododec-10-en-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(10E)-4-hydroxy-3,6,9,12-tetraoxo-1,2,7,8-tetraoxacyclododec-10-en-4-yl]acetic acid
PubChem CID139935736
Molecular FormulaC10H8O11
Molecular Weight304.16 g/mol
Exact Mass304.01
IUPAC Name2-[(10E)-4-hydroxy-3,6,9,12-tetraoxo-1,2,7,8-tetraoxacyclododec-10-en-4-yl]acetic acid
SMILESO=C(O)CC1(O)CC(=O)OOC(=O)/C=C/C(=O)OOC1=O
InChIInChI=1S/C10H8O11/c11-5(12)3-10(17)4-8(15)20-18-6(13)1-2-7(14)19-21-9(10)16/h1-2,17H,3-4H2,(H,11,12)/b2-1+
InChIKeyUDAFWJIIKBAPJL-OWOJBTEDSA-N
XLogP-1.85
TPSA162.73 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 5-1.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-[(10E)-4-hydroxy-3,6,9,12-tetraoxo-1,2,7,8-tetraoxacyclododec-10-en-4-yl]acetic acid with MolForge

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Related Compounds

CID 102552831
CID 102552831
2-(6-hydroxy-5,8-dioxo-1,4-dioxocan-6-yl)acetic acid
CID 118194313
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
[(2S,3R,4R)-1,2,3,4,5-pentahydroxypentyl] 2-(4-hydroxy-3,6,9,16-tetraoxo-1,2,7,8-tetraoxacyclohexadec-4-yl)acetate
CID 164608691
28-(carboxymethyl)-5,12,20,28,34,42-hexahydroxy-4,7,11,14,18,22,26,29,33,36,40,44-dodecaoxo-1,3,8,10,15,17,23,25,30,32,37,39-dodecaoxa-2,9,16,24,31,38-hexazacyclotetratetracontane-20,42-dicarboxylic acid
CID 155364596
2-[(2R)-2-chloro-5-oxofuran-2-yl]acetic acid
CID 25244291
butanedioic acid;(6Z)-2,3-dihydro-1,4-dioxocine-5,8-dione
CID 88728346
2-(3-hydroxy-1-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid
CID 141172437
2-[(1R)-1-hydroxy-2-oxocyclohexyl]acetic acid
CID 24879605
(4E)-3,6,16-trioxo-1,2,7-trioxacyclohexadec-4-ene-8-carboxylic acid
CID 142737344
2-(2-bromo-5-oxofuran-2-yl)acetic acid
CID 102268884
2-[(3R)-3-acetyloxy-2,5-dioxooxolan-3-yl]acetic acid
CID 98118164

Frequently Asked Questions

What is the IUPAC name of 2-[(10E)-4-hydroxy-3,6,9,12-tetraoxo-1,2,7,8-tetraoxacyclododec-10-en-4-yl]acetic acid?
The IUPAC name of 2-[(10E)-4-hydroxy-3,6,9,12-tetraoxo-1,2,7,8-tetraoxacyclododec-10-en-4-yl]acetic acid (CID 139935736) is 2-[(10E)-4-hydroxy-3,6,9,12-tetraoxo-1,2,7,8-tetraoxacyclododec-10-en-4-yl]acetic acid.
What is the SMILES notation for 2-[(10E)-4-hydroxy-3,6,9,12-tetraoxo-1,2,7,8-tetraoxacyclododec-10-en-4-yl]acetic acid?
The canonical SMILES for 2-[(10E)-4-hydroxy-3,6,9,12-tetraoxo-1,2,7,8-tetraoxacyclododec-10-en-4-yl]acetic acid is O=C(O)CC1(O)CC(=O)OOC(=O)/C=C/C(=O)OOC1=O.
What is the InChIKey of 2-[(10E)-4-hydroxy-3,6,9,12-tetraoxo-1,2,7,8-tetraoxacyclododec-10-en-4-yl]acetic acid?
The InChIKey is UDAFWJIIKBAPJL-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H8O11/c11-5(12)3-10(17)4-8(15)20-18-6(13)1-2-7(14)19-21-9(10)16/h1-2,17H,3-4H2,(H,11,12)/b2-1+.
What are the key properties of 2-[(10E)-4-hydroxy-3,6,9,12-tetraoxo-1,2,7,8-tetraoxacyclododec-10-en-4-yl]acetic acid?
2-[(10E)-4-hydroxy-3,6,9,12-tetraoxo-1,2,7,8-tetraoxacyclododec-10-en-4-yl]acetic acid has a molecular weight of 304.16 g/mol, XLogP of -1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(10E)-4-hydroxy-3,6,9,12-tetraoxo-1,2,7,8-tetraoxacyclododec-10-en-4-yl]acetic acid is sourced from PubChem (CID 139935736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).