2-ethyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxymethyl]propane-1,3-diol

C14H30O4 — CID 166664607

IUPAC2-ethyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxymethyl]propane-1,3-diol
SMILESCCC(CO)(CO)COC(C)(C)COC(C)(C)C
InChIInChI=1S/C14H30O4/c1-7-14(8-15,9-16)11-18-13(5,6)10-17-12(2,3)4/h15-16H,7-11H2,1-6H3
InChIKeyGULHNHQDGJQAJQ-UHFFFAOYSA-N
MW262.39 g/mol
LogP1.98
Rot. Bonds8

About 2-ethyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxymethyl]propane-1,3-diol

2-ethyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxymethyl]propane-1,3-diol (PubChem CID 166664607) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-ethyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxymethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxymethyl]propane-1,3-diol
PubChem CID166664607
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Name2-ethyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxymethyl]propane-1,3-diol
SMILESCCC(CO)(CO)COC(C)(C)COC(C)(C)C
InChIInChI=1S/C14H30O4/c1-7-14(8-15,9-16)11-18-13(5,6)10-17-12(2,3)4/h15-16H,7-11H2,1-6H3
InChIKeyGULHNHQDGJQAJQ-UHFFFAOYSA-N
XLogP1.98
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxymethyl]propane-1,3-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxymethyl]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxymethyl]propane-1,3-diol (CID 166664607) is 2-ethyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxymethyl]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxymethyl]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxymethyl]propane-1,3-diol is CCC(CO)(CO)COC(C)(C)COC(C)(C)C.
What is the InChIKey of 2-ethyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxymethyl]propane-1,3-diol?
The InChIKey is GULHNHQDGJQAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4/c1-7-14(8-15,9-16)11-18-13(5,6)10-17-12(2,3)4/h15-16H,7-11H2,1-6H3.
What are the key properties of 2-ethyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxymethyl]propane-1,3-diol?
2-ethyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxymethyl]propane-1,3-diol has a molecular weight of 262.39 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxymethyl]propane-1,3-diol is sourced from PubChem (CID 166664607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).