2-(oxiran-2-ylmethoxymethyl)oxirane;propoxymethanetriol

C10H20O7 — CID 174620010

IUPAC2-(oxiran-2-ylmethoxymethyl)oxirane;propoxymethanetriol
SMILESC(OCC1CO1)C1CO1.CCCOC(O)(O)O
InChIInChI=1S/C6H10O3.C4H10O4/c1(5-3-8-5)7-2-6-4-9-6;1-2-3-8-4(5,6)7/h5-6H,1-4H2;5-7H,2-3H2,1H3
InChIKeyPWKNFOGZHOOCFE-UHFFFAOYSA-N
MW252.26 g/mol
LogP-1.20
Rot. Bonds7

About 2-(oxiran-2-ylmethoxymethyl)oxirane;propoxymethanetriol

2-(oxiran-2-ylmethoxymethyl)oxirane;propoxymethanetriol (PubChem CID 174620010) has the molecular formula C10H20O7 and a molecular weight of 252.26 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxymethyl)oxirane;propoxymethanetriol.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxymethyl)oxirane;propoxymethanetriol
PubChem CID174620010
Molecular FormulaC10H20O7
Molecular Weight252.26 g/mol
Exact Mass252.12
IUPAC Name2-(oxiran-2-ylmethoxymethyl)oxirane;propoxymethanetriol
SMILESC(OCC1CO1)C1CO1.CCCOC(O)(O)O
InChIInChI=1S/C6H10O3.C4H10O4/c1(5-3-8-5)7-2-6-4-9-6;1-2-3-8-4(5,6)7/h5-6H,1-4H2;5-7H,2-3H2,1H3
InChIKeyPWKNFOGZHOOCFE-UHFFFAOYSA-N
XLogP-1.20
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(propoxymethyl)oxirane
CID 18406
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 135339306
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 57370814
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
CID 166063430
CID 166063430
2-(pentoxymethyl)oxirane
CID 160890113
2-butyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 130365137
hexane;hexane-1,6-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174849924

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;propoxymethanetriol?
The IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;propoxymethanetriol (CID 174620010) is 2-(oxiran-2-ylmethoxymethyl)oxirane;propoxymethanetriol.
What is the SMILES notation for 2-(oxiran-2-ylmethoxymethyl)oxirane;propoxymethanetriol?
The canonical SMILES for 2-(oxiran-2-ylmethoxymethyl)oxirane;propoxymethanetriol is C(OCC1CO1)C1CO1.CCCOC(O)(O)O.
What is the InChIKey of 2-(oxiran-2-ylmethoxymethyl)oxirane;propoxymethanetriol?
The InChIKey is PWKNFOGZHOOCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C4H10O4/c1(5-3-8-5)7-2-6-4-9-6;1-2-3-8-4(5,6)7/h5-6H,1-4H2;5-7H,2-3H2,1H3.
What are the key properties of 2-(oxiran-2-ylmethoxymethyl)oxirane;propoxymethanetriol?
2-(oxiran-2-ylmethoxymethyl)oxirane;propoxymethanetriol has a molecular weight of 252.26 g/mol, XLogP of -1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxymethyl)oxirane;propoxymethanetriol is sourced from PubChem (CID 174620010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).