3-ethyl-3-propylpentane-1,5-diol;2-ethyl-2-propylpropane-1,3-diol

C18H40O4 — CID 22239484

IUPAC3-ethyl-3-propylpentane-1,5-diol;2-ethyl-2-propylpropane-1,3-diol
SMILESCCCC(CC)(CCO)CCO.CCCC(CC)(CO)CO
InChIInChI=1S/C10H22O2.C8H18O2/c1-3-5-10(4-2,6-8-11)7-9-12;1-3-5-8(4-2,6-9)7-10/h11-12H,3-9H2,1-2H3;9-10H,3-7H2,1-2H3
InChIKeyAKOVWBORQSXFCA-UHFFFAOYSA-N
MW320.51 g/mol
LogP3.12
Rot. Bonds12

About 3-ethyl-3-propylpentane-1,5-diol;2-ethyl-2-propylpropane-1,3-diol

3-ethyl-3-propylpentane-1,5-diol;2-ethyl-2-propylpropane-1,3-diol (PubChem CID 22239484) has the molecular formula C18H40O4 and a molecular weight of 320.51 g/mol. Its IUPAC name is 3-ethyl-3-propylpentane-1,5-diol;2-ethyl-2-propylpropane-1,3-diol.

Molecular Properties

Compound Name3-ethyl-3-propylpentane-1,5-diol;2-ethyl-2-propylpropane-1,3-diol
PubChem CID22239484
Molecular FormulaC18H40O4
Molecular Weight320.51 g/mol
Exact Mass320.29
IUPAC Name3-ethyl-3-propylpentane-1,5-diol;2-ethyl-2-propylpropane-1,3-diol
SMILESCCCC(CC)(CCO)CCO.CCCC(CC)(CO)CO
InChIInChI=1S/C10H22O2.C8H18O2/c1-3-5-10(4-2,6-8-11)7-9-12;1-3-5-8(4-2,6-9)7-10/h11-12H,3-9H2,1-2H3;9-10H,3-7H2,1-2H3
InChIKeyAKOVWBORQSXFCA-UHFFFAOYSA-N
XLogP3.12
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-propylpentane-1,5-diol;2-ethyl-2-propylpropane-1,3-diol?
The IUPAC name of 3-ethyl-3-propylpentane-1,5-diol;2-ethyl-2-propylpropane-1,3-diol (CID 22239484) is 3-ethyl-3-propylpentane-1,5-diol;2-ethyl-2-propylpropane-1,3-diol.
What is the SMILES notation for 3-ethyl-3-propylpentane-1,5-diol;2-ethyl-2-propylpropane-1,3-diol?
The canonical SMILES for 3-ethyl-3-propylpentane-1,5-diol;2-ethyl-2-propylpropane-1,3-diol is CCCC(CC)(CCO)CCO.CCCC(CC)(CO)CO.
What is the InChIKey of 3-ethyl-3-propylpentane-1,5-diol;2-ethyl-2-propylpropane-1,3-diol?
The InChIKey is AKOVWBORQSXFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2.C8H18O2/c1-3-5-10(4-2,6-8-11)7-9-12;1-3-5-8(4-2,6-9)7-10/h11-12H,3-9H2,1-2H3;9-10H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-3-propylpentane-1,5-diol;2-ethyl-2-propylpropane-1,3-diol?
3-ethyl-3-propylpentane-1,5-diol;2-ethyl-2-propylpropane-1,3-diol has a molecular weight of 320.51 g/mol, XLogP of 3.12, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-propylpentane-1,5-diol;2-ethyl-2-propylpropane-1,3-diol is sourced from PubChem (CID 22239484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).