3-[4-(2,3-dihydroxypropylperoxy)butylperoxy]propane-1,2-diol

C10H22O8 — CID 174669486

IUPAC3-[4-(2,3-dihydroxypropylperoxy)butylperoxy]propane-1,2-diol
SMILESOCC(O)COOCCCCOOCC(O)CO
InChIInChI=1S/C10H22O8/c11-5-9(13)7-17-15-3-1-2-4-16-18-8-10(14)6-12/h9-14H,1-8H2
InChIKeyOKEMHMVJLLUDPY-UHFFFAOYSA-N
MW270.28 g/mol
LogP-1.63
Rot. Bonds13

About 3-[4-(2,3-dihydroxypropylperoxy)butylperoxy]propane-1,2-diol

3-[4-(2,3-dihydroxypropylperoxy)butylperoxy]propane-1,2-diol (PubChem CID 174669486) has the molecular formula C10H22O8 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-[4-(2,3-dihydroxypropylperoxy)butylperoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-(2,3-dihydroxypropylperoxy)butylperoxy]propane-1,2-diol
PubChem CID174669486
Molecular FormulaC10H22O8
Molecular Weight270.28 g/mol
Exact Mass270.13
IUPAC Name3-[4-(2,3-dihydroxypropylperoxy)butylperoxy]propane-1,2-diol
SMILESOCC(O)COOCCCCOOCC(O)CO
InChIInChI=1S/C10H22O8/c11-5-9(13)7-17-15-3-1-2-4-16-18-8-10(14)6-12/h9-14H,1-8H2
InChIKeyOKEMHMVJLLUDPY-UHFFFAOYSA-N
XLogP-1.63
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-hexadecylperoxypropane-1,2-diol
CID 57090366
3-propylperoxypropane-1,2-diol
CID 87234101
3-(12-hydroxydodecoxy)propane-1,2-diol
CID 78063027
(2S)-3-pentoxypropane-1,2-diol
CID 56628191
3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
2-(chloromethyl)oxirane;3-(2,3-dihydroxypropylperoxy)propane-1,2-diol
CID 174844944
10-(2,3-dihydroxypropoxy)decane-1,1-diol
CID 87342423
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane
CID 87375114
3-heptoxypropane-1,2-diol;hydrate
CID 22908564
3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174323318

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dihydroxypropylperoxy)butylperoxy]propane-1,2-diol?
The IUPAC name of 3-[4-(2,3-dihydroxypropylperoxy)butylperoxy]propane-1,2-diol (CID 174669486) is 3-[4-(2,3-dihydroxypropylperoxy)butylperoxy]propane-1,2-diol.
What is the SMILES notation for 3-[4-(2,3-dihydroxypropylperoxy)butylperoxy]propane-1,2-diol?
The canonical SMILES for 3-[4-(2,3-dihydroxypropylperoxy)butylperoxy]propane-1,2-diol is OCC(O)COOCCCCOOCC(O)CO.
What is the InChIKey of 3-[4-(2,3-dihydroxypropylperoxy)butylperoxy]propane-1,2-diol?
The InChIKey is OKEMHMVJLLUDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O8/c11-5-9(13)7-17-15-3-1-2-4-16-18-8-10(14)6-12/h9-14H,1-8H2.
What are the key properties of 3-[4-(2,3-dihydroxypropylperoxy)butylperoxy]propane-1,2-diol?
3-[4-(2,3-dihydroxypropylperoxy)butylperoxy]propane-1,2-diol has a molecular weight of 270.28 g/mol, XLogP of -1.63, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dihydroxypropylperoxy)butylperoxy]propane-1,2-diol is sourced from PubChem (CID 174669486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).