(1-ethylcyclopentyl) pentanoate

C12H22O2 — CID 123172403

IUPAC(1-ethylcyclopentyl) pentanoate
SMILESCCCCC(=O)OC1(CC)CCCC1
InChIInChI=1S/C12H22O2/c1-3-5-8-11(13)14-12(4-2)9-6-7-10-12/h3-10H2,1-2H3
InChIKeyMKNHANXFHMIXKP-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.44
Rot. Bonds5

About (1-ethylcyclopentyl) pentanoate

(1-ethylcyclopentyl) pentanoate (PubChem CID 123172403) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (1-ethylcyclopentyl) pentanoate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) pentanoate
PubChem CID123172403
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(1-ethylcyclopentyl) pentanoate
SMILESCCCCC(=O)OC1(CC)CCCC1
InChIInChI=1S/C12H22O2/c1-3-5-8-11(13)14-12(4-2)9-6-7-10-12/h3-10H2,1-2H3
InChIKeyMKNHANXFHMIXKP-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(1-pentylcyclohexyl) butanedioate
CID 174843513
(1-pentylcyclohexyl) butanoate
CID 101311537
(1-octylcyclopropyl) octanoate
CID 21488075
(1-ethylcyclopentyl) 5-(5,6,6-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanoate
CID 21339990
(1-ethylcyclohexyl) methyl carbonate
CID 59539840
[1-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate
CID 101298139
[1-(2,2,2-trifluoroethyl)cyclopentyl] 3-(dibutylamino)propanoate
CID 59204130
(1-ethylcyclohexyl) 3-(3-methyl-2-oxopentoxy)propanoate
CID 148971386
(1-ethylcyclopentyl) 2-methylpentanoate
CID 70972017
(1-ethylcyclopentyl) but-2-enoate
CID 150371556
(1-ethylcyclohexyl) cyclopropanecarboxylate
CID 147138971
bis(1-ethylcyclohexyl) cyclohexane-1,2-dicarboxylate
CID 67386872

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) pentanoate?
The IUPAC name of (1-ethylcyclopentyl) pentanoate (CID 123172403) is (1-ethylcyclopentyl) pentanoate.
What is the SMILES notation for (1-ethylcyclopentyl) pentanoate?
The canonical SMILES for (1-ethylcyclopentyl) pentanoate is CCCCC(=O)OC1(CC)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl) pentanoate?
The InChIKey is MKNHANXFHMIXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-5-8-11(13)14-12(4-2)9-6-7-10-12/h3-10H2,1-2H3.
What are the key properties of (1-ethylcyclopentyl) pentanoate?
(1-ethylcyclopentyl) pentanoate has a molecular weight of 198.31 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) pentanoate is sourced from PubChem (CID 123172403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).