2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane

C12H24O6 — CID 57370814

IUPAC2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CCC(CO)(CO)CO
InChIInChI=1S/C6H10O3.C6H14O3/c1(5-3-8-5)7-2-6-4-9-6;1-2-6(3-7,4-8)5-9/h5-6H,1-4H2;7-9H,2-5H2,1H3
InChIKeyZWHGJDQVQZVOHM-UHFFFAOYSA-N
MW264.32 g/mol
LogP-0.84
Rot. Bonds8

About 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane

2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 57370814) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID57370814
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CCC(CO)(CO)CO
InChIInChI=1S/C6H10O3.C6H14O3/c1(5-3-8-5)7-2-6-4-9-6;1-2-6(3-7,4-8)5-9/h5-6H,1-4H2;7-9H,2-5H2,1H3
InChIKeyZWHGJDQVQZVOHM-UHFFFAOYSA-N
XLogP-0.84
TPSA94.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-Epoxypropoxy)-2,2-bis((2,3-epoxypropoxy)methyl)butane
CID 103015
Pluracol V10
CID 6451422
2-Ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane
CID 21982713
2-Ethyl-2-[(2-oxiranylmethoxy)methyl]-1,3-propanediol
CID 22253720
2-Ethyl-2-(hydroxymethyl)propane-1,3-diol;oxiran-2-ylmethanol
CID 87968606
3-(Oxiranylmethoxy)-2,2-bis((oxiranylmethoxy)methyl)propanol
CID 114478
2,2-Bis((oxiranylmethoxy)methyl)propane-1,3-diol
CID 6451645
2-Ethyl-2-(hydroxymethyl)propane-1,3-diol;tris(2-methyloxirane);oxirane
CID 6452679
2-Butanol, 1,4-dimethoxy-3-(1,2,2-trimethylpropoxy)-
CID 558944
2-Methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propan-1-ol
CID 15152124
2-(2,3-Dihydroxypropoxymethyl)-2-ethylpropane-1,3-diol
CID 17774546
2-Methylpentane-2,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 18620234

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 57370814) is 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.CCC(CO)(CO)CO.
What is the InChIKey of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is ZWHGJDQVQZVOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C6H14O3/c1(5-3-8-5)7-2-6-4-9-6;1-2-6(3-7,4-8)5-9/h5-6H,1-4H2;7-9H,2-5H2,1H3.
What are the key properties of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane?
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 264.32 g/mol, XLogP of -0.84, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 57370814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).