3-ethyl-2,3-dipropoxypentane;propane-1,2-diol

C16H36O4 — CID 158196874

IUPAC3-ethyl-2,3-dipropoxypentane;propane-1,2-diol
SMILESCC(O)CO.CCCOC(C)C(CC)(CC)OCCC
InChIInChI=1S/C13H28O2.C3H8O2/c1-6-10-14-12(5)13(8-3,9-4)15-11-7-2;1-3(5)2-4/h12H,6-11H2,1-5H3;3-5H,2H2,1H3
InChIKeyGALDOHALDFEWBP-UHFFFAOYSA-N
MW292.46 g/mol
LogP3.15
Rot. Bonds10

About 3-ethyl-2,3-dipropoxypentane;propane-1,2-diol

3-ethyl-2,3-dipropoxypentane;propane-1,2-diol (PubChem CID 158196874) has the molecular formula C16H36O4 and a molecular weight of 292.46 g/mol. Its IUPAC name is 3-ethyl-2,3-dipropoxypentane;propane-1,2-diol.

Molecular Properties

Compound Name3-ethyl-2,3-dipropoxypentane;propane-1,2-diol
PubChem CID158196874
Molecular FormulaC16H36O4
Molecular Weight292.46 g/mol
Exact Mass292.26
IUPAC Name3-ethyl-2,3-dipropoxypentane;propane-1,2-diol
SMILESCC(O)CO.CCCOC(C)C(CC)(CC)OCCC
InChIInChI=1S/C13H28O2.C3H8O2/c1-6-10-14-12(5)13(8-3,9-4)15-11-7-2;1-3(5)2-4/h12H,6-11H2,1-5H3;3-5H,2H2,1H3
InChIKeyGALDOHALDFEWBP-UHFFFAOYSA-N
XLogP3.15
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-2,3-dipropoxypentane;propane-1,2-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

1,1,1-trifluoro-3-propoxy-2,2-bis(trifluoromethyl)butane
CID 163452103
propane-1,2-diol;propoxyboronic acid
CID 158326644
propane-1,2-diol
CID 23506506
propane-1,2-diol;2-propoxybutanedioic acid
CID 87565394
1-propoxypropane-1,2,3-triol
CID 19757638
pentane;propane-1,2-diol
CID 88731847
1-propoxypropan-1-ol;hydrate
CID 174406445
magnesium;hydride;1-propoxyethanol
CID 174529104
1-[1-(1-butoxyethoxy)ethoxy]butane;propane-1,2-diol
CID 87392981
1-(3-butoxypropoxy)butane;propane-1,2-diol
CID 87596955
methoxymethane;propane-1,2-diol
CID 23435252
CID 160650971
CID 160650971

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3-dipropoxypentane;propane-1,2-diol?
The IUPAC name of 3-ethyl-2,3-dipropoxypentane;propane-1,2-diol (CID 158196874) is 3-ethyl-2,3-dipropoxypentane;propane-1,2-diol.
What is the SMILES notation for 3-ethyl-2,3-dipropoxypentane;propane-1,2-diol?
The canonical SMILES for 3-ethyl-2,3-dipropoxypentane;propane-1,2-diol is CC(O)CO.CCCOC(C)C(CC)(CC)OCCC.
What is the InChIKey of 3-ethyl-2,3-dipropoxypentane;propane-1,2-diol?
The InChIKey is GALDOHALDFEWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2.C3H8O2/c1-6-10-14-12(5)13(8-3,9-4)15-11-7-2;1-3(5)2-4/h12H,6-11H2,1-5H3;3-5H,2H2,1H3.
What are the key properties of 3-ethyl-2,3-dipropoxypentane;propane-1,2-diol?
3-ethyl-2,3-dipropoxypentane;propane-1,2-diol has a molecular weight of 292.46 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3-dipropoxypentane;propane-1,2-diol is sourced from PubChem (CID 158196874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).