2-ethylhexyl 3-cyclopentylpropanoate

C16H30O2 — CID 543877

IUPAC2-ethylhexyl 3-cyclopentylpropanoate
SMILESCCCCC(CC)COC(=O)CCC1CCCC1
InChIInChI=1S/C16H30O2/c1-3-5-8-14(4-2)13-18-16(17)12-11-15-9-6-7-10-15/h14-15H,3-13H2,1-2H3
InChIKeyYYJAOOCQAQLWFR-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.72
Rot. Bonds9

About 2-ethylhexyl 3-cyclopentylpropanoate

2-ethylhexyl 3-cyclopentylpropanoate (PubChem CID 543877) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-ethylhexyl 3-cyclopentylpropanoate.

Molecular Properties

Compound Name2-ethylhexyl 3-cyclopentylpropanoate
PubChem CID543877
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-ethylhexyl 3-cyclopentylpropanoate
SMILESCCCCC(CC)COC(=O)CCC1CCCC1
InChIInChI=1S/C16H30O2/c1-3-5-8-14(4-2)13-18-16(17)12-11-15-9-6-7-10-15/h14-15H,3-13H2,1-2H3
InChIKeyYYJAOOCQAQLWFR-UHFFFAOYSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-O-(cyclohexylmethyl) 5-O-(2-ethylhexyl) pentanedioate
CID 91707008
bis[(2R)-2-ethylhexyl] nonanedioate
CID 25113357
bis(2-ethylhexyl) nonanedioate
CID 7642
[(2R)-2-ethylhexyl] 3-sulfanylpropanoate
CID 76958586
2-ethylhexyl 4-methylpentanoate
CID 134988368
2-ethylhexyl 16-[16-(2-ethylhexoxy)-16-oxohexadecoxy]hexadecanoate
CID 91184211
2-ethylhexyl 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469950
1-O-(cyclohexylmethyl) 3-O-(2-ethylpentyl) propanedioate
CID 142364260
2-ethylhexyl 5-methylhexanoate
CID 129117635
2-ethylhexyl 9-ethyloctadecanoate
CID 166859369
2-ethylhexyl 9-(octadecanoyloxymethyl)octadecanoate
CID 146576807
1-O,3-O-bis[(2R)-2-ethylhexyl] 5-O-[(2S)-2-ethylhexyl] pentane-1,3,5-tricarboxylate
CID 124824126

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 3-cyclopentylpropanoate?
The IUPAC name of 2-ethylhexyl 3-cyclopentylpropanoate (CID 543877) is 2-ethylhexyl 3-cyclopentylpropanoate.
What is the SMILES notation for 2-ethylhexyl 3-cyclopentylpropanoate?
The canonical SMILES for 2-ethylhexyl 3-cyclopentylpropanoate is CCCCC(CC)COC(=O)CCC1CCCC1.
What is the InChIKey of 2-ethylhexyl 3-cyclopentylpropanoate?
The InChIKey is YYJAOOCQAQLWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-3-5-8-14(4-2)13-18-16(17)12-11-15-9-6-7-10-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-ethylhexyl 3-cyclopentylpropanoate?
2-ethylhexyl 3-cyclopentylpropanoate has a molecular weight of 254.41 g/mol, XLogP of 4.72, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 3-cyclopentylpropanoate is sourced from PubChem (CID 543877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).