2-(oxiran-2-yl)pentyl cyclohexanecarboxylate

C14H24O3 — CID 141343450

IUPAC2-(oxiran-2-yl)pentyl cyclohexanecarboxylate
SMILESCCCC(COC(=O)C1CCCCC1)C1CO1
InChIInChI=1S/C14H24O3/c1-2-6-12(13-10-16-13)9-17-14(15)11-7-4-3-5-8-11/h11-13H,2-10H2,1H3
InChIKeyAWNGJSMEVXRUDV-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.92
Rot. Bonds6

About 2-(oxiran-2-yl)pentyl cyclohexanecarboxylate

2-(oxiran-2-yl)pentyl cyclohexanecarboxylate (PubChem CID 141343450) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-(oxiran-2-yl)pentyl cyclohexanecarboxylate.

Molecular Properties

Compound Name2-(oxiran-2-yl)pentyl cyclohexanecarboxylate
PubChem CID141343450
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-(oxiran-2-yl)pentyl cyclohexanecarboxylate
SMILESCCCC(COC(=O)C1CCCCC1)C1CO1
InChIInChI=1S/C14H24O3/c1-2-6-12(13-10-16-13)9-17-14(15)11-7-4-3-5-8-11/h11-13H,2-10H2,1H3
InChIKeyAWNGJSMEVXRUDV-UHFFFAOYSA-N
XLogP2.92
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate
CID 71034166
2-octyldodecyl cyclopentanecarboxylate
CID 141463974
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
1-chlorobutyl cyclohexanecarboxylate
CID 67231020
2-propoxyethyl cyclohexanecarboxylate
CID 66700127
2-methylprop-2-enyl cyclohexanecarboxylate
CID 18622419
lithium;hydride;pentyl cyclohexanecarboxylate
CID 173095553
ethyl 2-(cyclooctanecarbonyl)pentanoate
CID 83043739
2,2-bis(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate
CID 15607732
nonyl cyclopentanecarboxylate
CID 575427
2-(2-methylpropoxy)ethyl cyclohexanecarboxylate
CID 59197441
2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate
CID 118048088

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-yl)pentyl cyclohexanecarboxylate?
The IUPAC name of 2-(oxiran-2-yl)pentyl cyclohexanecarboxylate (CID 141343450) is 2-(oxiran-2-yl)pentyl cyclohexanecarboxylate.
What is the SMILES notation for 2-(oxiran-2-yl)pentyl cyclohexanecarboxylate?
The canonical SMILES for 2-(oxiran-2-yl)pentyl cyclohexanecarboxylate is CCCC(COC(=O)C1CCCCC1)C1CO1.
What is the InChIKey of 2-(oxiran-2-yl)pentyl cyclohexanecarboxylate?
The InChIKey is AWNGJSMEVXRUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-2-6-12(13-10-16-13)9-17-14(15)11-7-4-3-5-8-11/h11-13H,2-10H2,1H3.
What are the key properties of 2-(oxiran-2-yl)pentyl cyclohexanecarboxylate?
2-(oxiran-2-yl)pentyl cyclohexanecarboxylate has a molecular weight of 240.34 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-yl)pentyl cyclohexanecarboxylate is sourced from PubChem (CID 141343450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).