ethyl 3-ethoxycarbonyloxy-2-propylpentanoate

C13H24O5 — CID 122517341

IUPACethyl 3-ethoxycarbonyloxy-2-propylpentanoate
SMILESCCCC(C(=O)OCC)C(CC)OC(=O)OCC
InChIInChI=1S/C13H24O5/c1-5-9-10(12(14)16-7-3)11(6-2)18-13(15)17-8-4/h10-11H,5-9H2,1-4H3
InChIKeyVNLSLMQNJQYMPG-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.92
Rot. Bonds8

About ethyl 3-ethoxycarbonyloxy-2-propylpentanoate

ethyl 3-ethoxycarbonyloxy-2-propylpentanoate (PubChem CID 122517341) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is ethyl 3-ethoxycarbonyloxy-2-propylpentanoate.

Molecular Properties

Compound Nameethyl 3-ethoxycarbonyloxy-2-propylpentanoate
PubChem CID122517341
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Nameethyl 3-ethoxycarbonyloxy-2-propylpentanoate
SMILESCCCC(C(=O)OCC)C(CC)OC(=O)OCC
InChIInChI=1S/C13H24O5/c1-5-9-10(12(14)16-7-3)11(6-2)18-13(15)17-8-4/h10-11H,5-9H2,1-4H3
InChIKeyVNLSLMQNJQYMPG-UHFFFAOYSA-N
XLogP2.92
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-butyl-3-ethoxycarbonyloxyheptanoate
CID 122517268
ethyl 2-methylpentan-3-yl carbonate
CID 23451734
ethane;ethyl heptan-4-yl carbonate
CID 143752690
1-ethoxybutyl ethyl carbonate
CID 87247979
ethyl 2-(1-ethoxycarbonyloxyethyl)hexanoate
CID 134283844
ethyl 2-(diethoxymethyl)pentanoate
CID 24973425
CID 175796855
CID 175796855
ethyl 2-[ethoxy(hydroxy)methyl]pentanoate
CID 123662696
2-(1-ethoxycarbonyloxyethyl)hexanoic acid
CID 122517241
ethyl hex-1-en-3-yl carbonate
CID 11073871
diethyl 2-(1-chlorobutyl)propanedioate
CID 174722210
ethyl 3,5-dihydroxy-2-propylpentanoate
CID 89428861

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethoxycarbonyloxy-2-propylpentanoate?
The IUPAC name of ethyl 3-ethoxycarbonyloxy-2-propylpentanoate (CID 122517341) is ethyl 3-ethoxycarbonyloxy-2-propylpentanoate.
What is the SMILES notation for ethyl 3-ethoxycarbonyloxy-2-propylpentanoate?
The canonical SMILES for ethyl 3-ethoxycarbonyloxy-2-propylpentanoate is CCCC(C(=O)OCC)C(CC)OC(=O)OCC.
What is the InChIKey of ethyl 3-ethoxycarbonyloxy-2-propylpentanoate?
The InChIKey is VNLSLMQNJQYMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c1-5-9-10(12(14)16-7-3)11(6-2)18-13(15)17-8-4/h10-11H,5-9H2,1-4H3.
What are the key properties of ethyl 3-ethoxycarbonyloxy-2-propylpentanoate?
ethyl 3-ethoxycarbonyloxy-2-propylpentanoate has a molecular weight of 260.33 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethoxycarbonyloxy-2-propylpentanoate is sourced from PubChem (CID 122517341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).