2-ethyl-4-(1-hydroxypropan-2-yloxy)-2-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]butane-1,3-diol

C15H32O7 — CID 165367133

IUPAC2-ethyl-4-(1-hydroxypropan-2-yloxy)-2-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]butane-1,3-diol
SMILESCCC(CO)(OC(C)COC(C)CO)C(O)COC(C)CO
InChIInChI=1S/C15H32O7/c1-5-15(10-18,14(19)9-21-12(3)7-17)22-13(4)8-20-11(2)6-16/h11-14,16-19H,5-10H2,1-4H3
InChIKeyYYZDEZOPEHYSKJ-UHFFFAOYSA-N
MW324.41 g/mol
LogP-0.31
Rot. Bonds13

About 2-ethyl-4-(1-hydroxypropan-2-yloxy)-2-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]butane-1,3-diol

2-ethyl-4-(1-hydroxypropan-2-yloxy)-2-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]butane-1,3-diol (PubChem CID 165367133) has the molecular formula C15H32O7 and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-ethyl-4-(1-hydroxypropan-2-yloxy)-2-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]butane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-4-(1-hydroxypropan-2-yloxy)-2-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]butane-1,3-diol
PubChem CID165367133
Molecular FormulaC15H32O7
Molecular Weight324.41 g/mol
Exact Mass324.21
IUPAC Name2-ethyl-4-(1-hydroxypropan-2-yloxy)-2-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]butane-1,3-diol
SMILESCCC(CO)(OC(C)COC(C)CO)C(O)COC(C)CO
InChIInChI=1S/C15H32O7/c1-5-15(10-18,14(19)9-21-12(3)7-17)22-13(4)8-20-11(2)6-16/h11-14,16-19H,5-10H2,1-4H3
InChIKeyYYZDEZOPEHYSKJ-UHFFFAOYSA-N
XLogP-0.31
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-4-(1-hydroxypropan-2-yloxy)-2-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]butane-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-4-(1-hydroxypropan-2-yloxy)-2-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]butane-1,3-diol?
The IUPAC name of 2-ethyl-4-(1-hydroxypropan-2-yloxy)-2-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]butane-1,3-diol (CID 165367133) is 2-ethyl-4-(1-hydroxypropan-2-yloxy)-2-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]butane-1,3-diol.
What is the SMILES notation for 2-ethyl-4-(1-hydroxypropan-2-yloxy)-2-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]butane-1,3-diol?
The canonical SMILES for 2-ethyl-4-(1-hydroxypropan-2-yloxy)-2-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]butane-1,3-diol is CCC(CO)(OC(C)COC(C)CO)C(O)COC(C)CO.
What is the InChIKey of 2-ethyl-4-(1-hydroxypropan-2-yloxy)-2-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]butane-1,3-diol?
The InChIKey is YYZDEZOPEHYSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O7/c1-5-15(10-18,14(19)9-21-12(3)7-17)22-13(4)8-20-11(2)6-16/h11-14,16-19H,5-10H2,1-4H3.
What are the key properties of 2-ethyl-4-(1-hydroxypropan-2-yloxy)-2-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]butane-1,3-diol?
2-ethyl-4-(1-hydroxypropan-2-yloxy)-2-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]butane-1,3-diol has a molecular weight of 324.41 g/mol, XLogP of -0.31, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1-hydroxypropan-2-yloxy)-2-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]butane-1,3-diol is sourced from PubChem (CID 165367133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).