2-ethylhexyl cyclopentanecarboxylate

C14H26O2 — CID 566239

IUPAC2-ethylhexyl cyclopentanecarboxylate
SMILESCCCCC(CC)COC(=O)C1CCCC1
InChIInChI=1S/C14H26O2/c1-3-5-8-12(4-2)11-16-14(15)13-9-6-7-10-13/h12-13H,3-11H2,1-2H3
InChIKeyPISFVCYDRLJBQS-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.94
Rot. Bonds7

About 2-ethylhexyl cyclopentanecarboxylate

2-ethylhexyl cyclopentanecarboxylate (PubChem CID 566239) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-ethylhexyl cyclopentanecarboxylate.

Molecular Properties

Compound Name2-ethylhexyl cyclopentanecarboxylate
PubChem CID566239
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-ethylhexyl cyclopentanecarboxylate
SMILESCCCCC(CC)COC(=O)C1CCCC1
InChIInChI=1S/C14H26O2/c1-3-5-8-12(4-2)11-16-14(15)13-9-6-7-10-13/h12-13H,3-11H2,1-2H3
InChIKeyPISFVCYDRLJBQS-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl cyclopentanecarboxylate?
The IUPAC name of 2-ethylhexyl cyclopentanecarboxylate (CID 566239) is 2-ethylhexyl cyclopentanecarboxylate.
What is the SMILES notation for 2-ethylhexyl cyclopentanecarboxylate?
The canonical SMILES for 2-ethylhexyl cyclopentanecarboxylate is CCCCC(CC)COC(=O)C1CCCC1.
What is the InChIKey of 2-ethylhexyl cyclopentanecarboxylate?
The InChIKey is PISFVCYDRLJBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-5-8-12(4-2)11-16-14(15)13-9-6-7-10-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-ethylhexyl cyclopentanecarboxylate?
2-ethylhexyl cyclopentanecarboxylate has a molecular weight of 226.36 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl cyclopentanecarboxylate is sourced from PubChem (CID 566239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).