2-(2-ethoxypropoxy)propyl pentanoate

C13H26O4 — CID 87425057

IUPAC2-(2-ethoxypropoxy)propyl pentanoate
SMILESCCCCC(=O)OCC(C)OCC(C)OCC
InChIInChI=1S/C13H26O4/c1-5-7-8-13(14)17-10-12(4)16-9-11(3)15-6-2/h11-12H,5-10H2,1-4H3
InChIKeyBGYPIXAHVMKCCG-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.55
Rot. Bonds10

About 2-(2-ethoxypropoxy)propyl pentanoate

2-(2-ethoxypropoxy)propyl pentanoate (PubChem CID 87425057) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2-ethoxypropoxy)propyl pentanoate.

Molecular Properties

Compound Name2-(2-ethoxypropoxy)propyl pentanoate
PubChem CID87425057
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name2-(2-ethoxypropoxy)propyl pentanoate
SMILESCCCCC(=O)OCC(C)OCC(C)OCC
InChIInChI=1S/C13H26O4/c1-5-7-8-13(14)17-10-12(4)16-9-11(3)15-6-2/h11-12H,5-10H2,1-4H3
InChIKeyBGYPIXAHVMKCCG-UHFFFAOYSA-N
XLogP2.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-butoxypropoxy)propyl octadecanoate
CID 87698050
2-(2-hydroxypropoxy)propyl octanoate
CID 22496683
2-tetradecoxypropyl tetradecanoate
CID 170841381
2-[2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propoxy]propyl pentanoate
CID 143697641
2-(2-butanoyloxypropoxy)propyl butanoate
CID 91036276
2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate
CID 139914306
2-dodecanoyloxypropyl pentadecanoate
CID 74829220
[(2R)-2-octanoyloxypropyl] octanoate
CID 73416129
[(2R)-2-tetradecanoyloxypropyl] tetradecanoate
CID 99119157
2,2-diethoxyethyl tetradecanoate
CID 156620968
2-pentadecanoyloxypropyl pentadecanoate
CID 13161518
2-nonadecanoyloxypropyl nonadecanoate
CID 13161520

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxypropoxy)propyl pentanoate?
The IUPAC name of 2-(2-ethoxypropoxy)propyl pentanoate (CID 87425057) is 2-(2-ethoxypropoxy)propyl pentanoate.
What is the SMILES notation for 2-(2-ethoxypropoxy)propyl pentanoate?
The canonical SMILES for 2-(2-ethoxypropoxy)propyl pentanoate is CCCCC(=O)OCC(C)OCC(C)OCC.
What is the InChIKey of 2-(2-ethoxypropoxy)propyl pentanoate?
The InChIKey is BGYPIXAHVMKCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-5-7-8-13(14)17-10-12(4)16-9-11(3)15-6-2/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-(2-ethoxypropoxy)propyl pentanoate?
2-(2-ethoxypropoxy)propyl pentanoate has a molecular weight of 246.35 g/mol, XLogP of 2.55, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxypropoxy)propyl pentanoate is sourced from PubChem (CID 87425057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).