[[[hydroperoxy(hydroxy)methyl]peroxy-hydroxymethyl]peroxy-hydroxymethyl]peroxymethanediol

C4H10O13 — CID 87310035

IUPAC[[[hydroperoxy(hydroxy)methyl]peroxy-hydroxymethyl]peroxy-hydroxymethyl]peroxymethanediol
SMILESOOC(O)OOC(O)OOC(O)OOC(O)O
InChIInChI=1S/C4H10O13/c5-1(6)12-14-3(8)16-17-4(9)15-13-2(7)11-10/h1-10H
InChIKeyDVZCFWJIPVUTNR-UHFFFAOYSA-N
MW266.11 g/mol
LogP-3.58
Rot. Bonds10

About [[[hydroperoxy(hydroxy)methyl]peroxy-hydroxymethyl]peroxy-hydroxymethyl]peroxymethanediol

[[[hydroperoxy(hydroxy)methyl]peroxy-hydroxymethyl]peroxy-hydroxymethyl]peroxymethanediol (PubChem CID 87310035) has the molecular formula C4H10O13 and a molecular weight of 266.11 g/mol. Its IUPAC name is [[[hydroperoxy(hydroxy)methyl]peroxy-hydroxymethyl]peroxy-hydroxymethyl]peroxymethanediol.

Molecular Properties

Compound Name[[[hydroperoxy(hydroxy)methyl]peroxy-hydroxymethyl]peroxy-hydroxymethyl]peroxymethanediol
PubChem CID87310035
Molecular FormulaC4H10O13
Molecular Weight266.11 g/mol
Exact Mass266.01
IUPAC Name[[[hydroperoxy(hydroxy)methyl]peroxy-hydroxymethyl]peroxy-hydroxymethyl]peroxymethanediol
SMILESOOC(O)OOC(O)OOC(O)OOC(O)O
InChIInChI=1S/C4H10O13/c5-1(6)12-14-3(8)16-17-4(9)15-13-2(7)11-10/h1-10H
InChIKeyDVZCFWJIPVUTNR-UHFFFAOYSA-N
XLogP-3.58
TPSA185.99 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500266.11
LogP ≤ 5-3.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[[hydroperoxy(hydroxy)methyl]peroxy-hydroxymethyl]peroxy-hydroxymethyl]peroxymethanediol?
The IUPAC name of [[[hydroperoxy(hydroxy)methyl]peroxy-hydroxymethyl]peroxy-hydroxymethyl]peroxymethanediol (CID 87310035) is [[[hydroperoxy(hydroxy)methyl]peroxy-hydroxymethyl]peroxy-hydroxymethyl]peroxymethanediol.
What is the SMILES notation for [[[hydroperoxy(hydroxy)methyl]peroxy-hydroxymethyl]peroxy-hydroxymethyl]peroxymethanediol?
The canonical SMILES for [[[hydroperoxy(hydroxy)methyl]peroxy-hydroxymethyl]peroxy-hydroxymethyl]peroxymethanediol is OOC(O)OOC(O)OOC(O)OOC(O)O.
What is the InChIKey of [[[hydroperoxy(hydroxy)methyl]peroxy-hydroxymethyl]peroxy-hydroxymethyl]peroxymethanediol?
The InChIKey is DVZCFWJIPVUTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O13/c5-1(6)12-14-3(8)16-17-4(9)15-13-2(7)11-10/h1-10H.
What are the key properties of [[[hydroperoxy(hydroxy)methyl]peroxy-hydroxymethyl]peroxy-hydroxymethyl]peroxymethanediol?
[[[hydroperoxy(hydroxy)methyl]peroxy-hydroxymethyl]peroxy-hydroxymethyl]peroxymethanediol has a molecular weight of 266.11 g/mol, XLogP of -3.58, 10 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [[[hydroperoxy(hydroxy)methyl]peroxy-hydroxymethyl]peroxy-hydroxymethyl]peroxymethanediol is sourced from PubChem (CID 87310035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).