2-propoxyethyl cyclohexanecarboxylate

C12H22O3 — CID 66700127

IUPAC2-propoxyethyl cyclohexanecarboxylate
SMILESCCCOCCOC(=O)C1CCCCC1
InChIInChI=1S/C12H22O3/c1-2-8-14-9-10-15-12(13)11-6-4-3-5-7-11/h11H,2-10H2,1H3
InChIKeyFZBWGELBUSXVTG-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.54
Rot. Bonds6

About 2-propoxyethyl cyclohexanecarboxylate

2-propoxyethyl cyclohexanecarboxylate (PubChem CID 66700127) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-propoxyethyl cyclohexanecarboxylate.

Molecular Properties

Compound Name2-propoxyethyl cyclohexanecarboxylate
PubChem CID66700127
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-propoxyethyl cyclohexanecarboxylate
SMILESCCCOCCOC(=O)C1CCCCC1
InChIInChI=1S/C12H22O3/c1-2-8-14-9-10-15-12(13)11-6-4-3-5-7-11/h11H,2-10H2,1H3
InChIKeyFZBWGELBUSXVTG-UHFFFAOYSA-N
XLogP2.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-propoxyethyl 4-aminocyclohexane-1-carboxylate
CID 63684339
2-[2-(butylamino)ethoxy]ethyl cyclohexanecarboxylate
CID 82532258
2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate
CID 10192770
2-propoxyethyl (3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate
CID 157312533
2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate
CID 70391446
2-(2-methylpropoxy)ethyl cyclohexanecarboxylate
CID 59197441
lithium;hydride;pentyl cyclohexanecarboxylate
CID 173095553
nonyl cyclopentanecarboxylate
CID 575427
2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate
CID 118048088
2-methoxyethoxymethyl cyclohexanecarboxylate
CID 11287380
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
2-butoxyethyl 3-aminocyclohexane-1-carboxylate
CID 55148657

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl cyclohexanecarboxylate?
The IUPAC name of 2-propoxyethyl cyclohexanecarboxylate (CID 66700127) is 2-propoxyethyl cyclohexanecarboxylate.
What is the SMILES notation for 2-propoxyethyl cyclohexanecarboxylate?
The canonical SMILES for 2-propoxyethyl cyclohexanecarboxylate is CCCOCCOC(=O)C1CCCCC1.
What is the InChIKey of 2-propoxyethyl cyclohexanecarboxylate?
The InChIKey is FZBWGELBUSXVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-2-8-14-9-10-15-12(13)11-6-4-3-5-7-11/h11H,2-10H2,1H3.
What are the key properties of 2-propoxyethyl cyclohexanecarboxylate?
2-propoxyethyl cyclohexanecarboxylate has a molecular weight of 214.30 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl cyclohexanecarboxylate is sourced from PubChem (CID 66700127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).