2-ethoxypropan-2-ol;oxolan-2-ol;propane-2,2-diol

C12H28O6 — CID 145143848

IUPAC2-ethoxypropan-2-ol;oxolan-2-ol;propane-2,2-diol
SMILESCC(C)(O)O.CCOC(C)(C)O.OC1CCCO1
InChIInChI=1S/C5H12O2.C4H8O2.C3H8O2/c1-4-7-5(2,3)6;5-4-2-1-3-6-4;1-3(2,4)5/h6H,4H2,1-3H3;4-5H,1-3H2;4-5H,1-2H3
InChIKeyTUCZJVCWBUAFMK-UHFFFAOYSA-N
MW268.35 g/mol
LogP0.57
Rot. Bonds2

About 2-ethoxypropan-2-ol;oxolan-2-ol;propane-2,2-diol

2-ethoxypropan-2-ol;oxolan-2-ol;propane-2,2-diol (PubChem CID 145143848) has the molecular formula C12H28O6 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-ethoxypropan-2-ol;oxolan-2-ol;propane-2,2-diol.

Molecular Properties

Compound Name2-ethoxypropan-2-ol;oxolan-2-ol;propane-2,2-diol
PubChem CID145143848
Molecular FormulaC12H28O6
Molecular Weight268.35 g/mol
Exact Mass268.19
IUPAC Name2-ethoxypropan-2-ol;oxolan-2-ol;propane-2,2-diol
SMILESCC(C)(O)O.CCOC(C)(C)O.OC1CCCO1
InChIInChI=1S/C5H12O2.C4H8O2.C3H8O2/c1-4-7-5(2,3)6;5-4-2-1-3-6-4;1-3(2,4)5/h6H,4H2,1-3H3;4-5H,1-3H2;4-5H,1-2H3
InChIKeyTUCZJVCWBUAFMK-UHFFFAOYSA-N
XLogP0.57
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-ethoxypropan-2-ol;oxolan-2-ol;propane-2,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;oxolan-2-ol
CID 174893517
CID 161132598
CID 161132598
ethene;oxolan-2-ol
CID 175689384
4-ethoxy-4-methyl-1-(oxolan-2-yl)pentan-3-ol
CID 116713726
4-ethoxy-4-methyl-1-(oxolan-2-yl)hexan-3-one
CID 116747011
magnesium;ethane;oxan-2-ol;hydrobromide
CID 173423847
(1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol
CID 142398679
1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol
CID 156747479
(2R)-2-[(2S)-oxolan-2-yl]butan-2-ol
CID 10012031
2-methoxypropan-2-ol;2-[2-(2-methoxypropan-2-yloxy)ethyl]oxolane
CID 142450312
magnesium;oxan-2-ol;prop-1-yne
CID 173361213
5-ethoxy-5-methyl-1-(oxolan-2-yl)heptan-4-ol
CID 116752270

Frequently Asked Questions

What is the IUPAC name of 2-ethoxypropan-2-ol;oxolan-2-ol;propane-2,2-diol?
The IUPAC name of 2-ethoxypropan-2-ol;oxolan-2-ol;propane-2,2-diol (CID 145143848) is 2-ethoxypropan-2-ol;oxolan-2-ol;propane-2,2-diol.
What is the SMILES notation for 2-ethoxypropan-2-ol;oxolan-2-ol;propane-2,2-diol?
The canonical SMILES for 2-ethoxypropan-2-ol;oxolan-2-ol;propane-2,2-diol is CC(C)(O)O.CCOC(C)(C)O.OC1CCCO1.
What is the InChIKey of 2-ethoxypropan-2-ol;oxolan-2-ol;propane-2,2-diol?
The InChIKey is TUCZJVCWBUAFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.C4H8O2.C3H8O2/c1-4-7-5(2,3)6;5-4-2-1-3-6-4;1-3(2,4)5/h6H,4H2,1-3H3;4-5H,1-3H2;4-5H,1-2H3.
What are the key properties of 2-ethoxypropan-2-ol;oxolan-2-ol;propane-2,2-diol?
2-ethoxypropan-2-ol;oxolan-2-ol;propane-2,2-diol has a molecular weight of 268.35 g/mol, XLogP of 0.57, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypropan-2-ol;oxolan-2-ol;propane-2,2-diol is sourced from PubChem (CID 145143848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).