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

C11H24O5 — CID 6451422

IUPAC2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane
SMILESC1CO1.CC1CO1.CCC(CO)(CO)CO
InChIInChI=1S/C6H14O3.C3H6O.C2H4O/c1-2-6(3-7,4-8)5-9;1-3-2-4-3;1-2-3-1/h7-9H,2-5H2,1H3;3H,2H2,1H3;1-2H2
InChIKeyYTZRFUSYPGFDNC-UHFFFAOYSA-N
MW236.31 g/mol
LogP-0.22
Rot. Bonds4

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

2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane (PubChem CID 6451422) has the molecular formula C11H24O5 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane.

Molecular Properties

Compound Name2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane
PubChem CID6451422
Molecular FormulaC11H24O5
Molecular Weight236.31 g/mol
Exact Mass236.16
IUPAC Name2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane
SMILESC1CO1.CC1CO1.CCC(CO)(CO)CO
InChIInChI=1S/C6H14O3.C3H6O.C2H4O/c1-2-6(3-7,4-8)5-9;1-3-2-4-3;1-2-3-1/h7-9H,2-5H2,1H3;3H,2H2,1H3;1-2H2
InChIKeyYTZRFUSYPGFDNC-UHFFFAOYSA-N
XLogP-0.22
TPSA85.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-methyloxirane);oxirane
CID 173423277
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 57370814
alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277
2-ethyl-2-(oxan-4-ylmethyl)propane-1,3-diol
CID 79450037
ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 88683214
CID 87987203
CID 87987203
2-methyloxirane;oxirane;propan-2-ol
CID 22467713
hexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane
CID 174373260
2-ethyl-2-[[(2-methyloxolan-3-yl)amino]methyl]butan-1-ol
CID 82725348
butan-1-ol;2-methyloxirane;oxirane;phosphoric acid
CID 170852533
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(3-ethyloxetan-3-yl)methanol;oxetane
CID 157089919

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane?
The IUPAC name of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane (CID 6451422) is 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane.
What is the SMILES notation for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane?
The canonical SMILES for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane is C1CO1.CC1CO1.CCC(CO)(CO)CO.
What is the InChIKey of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane?
The InChIKey is YTZRFUSYPGFDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C3H6O.C2H4O/c1-2-6(3-7,4-8)5-9;1-3-2-4-3;1-2-3-1/h7-9H,2-5H2,1H3;3H,2H2,1H3;1-2H2.
What are the key properties of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane?
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane has a molecular weight of 236.31 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane is sourced from PubChem (CID 6451422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).