1-acetyloxyethyl cyclohex-2-ene-1-carboxylate

C11H16O4 — CID 142208667

IUPAC1-acetyloxyethyl cyclohex-2-ene-1-carboxylate
SMILESCC(=O)OC(C)OC(=O)C1C=CCCC1
InChIInChI=1S/C11H16O4/c1-8(12)14-9(2)15-11(13)10-6-4-3-5-7-10/h4,6,9-10H,3,5,7H2,1-2H3
InChIKeyQHPMKATUSJANGF-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.79
Rot. Bonds3

About 1-acetyloxyethyl cyclohex-2-ene-1-carboxylate

1-acetyloxyethyl cyclohex-2-ene-1-carboxylate (PubChem CID 142208667) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-acetyloxyethyl cyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Name1-acetyloxyethyl cyclohex-2-ene-1-carboxylate
PubChem CID142208667
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Name1-acetyloxyethyl cyclohex-2-ene-1-carboxylate
SMILESCC(=O)OC(C)OC(=O)C1C=CCCC1
InChIInChI=1S/C11H16O4/c1-8(12)14-9(2)15-11(13)10-6-4-3-5-7-10/h4,6,9-10H,3,5,7H2,1-2H3
InChIKeyQHPMKATUSJANGF-UHFFFAOYSA-N
XLogP1.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1S)-1-acetyloxyethyl] cyclohexanecarboxylate
CID 70191604
di(cyclohex-2-en-1-yl)methanone
CID 12625750
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] cyclohex-2-ene-1-carboxylate
CID 58743174
1-cyclopentyloxyethyl acetate
CID 58944284
cyclohept-2-ene-1-carboxylic acid
CID 10606834
CID 173230696
CID 173230696
cyclohex-2-ene-1-carboxylate
CID 21218503
alumane;cyclohex-2-ene-1-carboxylic acid
CID 173230504
2,2-dichloro-1-cyclohex-2-en-1-ylethanone
CID 57016024
1-cyclohexyloxyethyl acetate
CID 58944366
[(1R)-cyclohept-2-en-1-yl] acetate
CID 12858459
cyclohex-2-en-1-yl acetate;methane
CID 159882311

Frequently Asked Questions

What is the IUPAC name of 1-acetyloxyethyl cyclohex-2-ene-1-carboxylate?
The IUPAC name of 1-acetyloxyethyl cyclohex-2-ene-1-carboxylate (CID 142208667) is 1-acetyloxyethyl cyclohex-2-ene-1-carboxylate.
What is the SMILES notation for 1-acetyloxyethyl cyclohex-2-ene-1-carboxylate?
The canonical SMILES for 1-acetyloxyethyl cyclohex-2-ene-1-carboxylate is CC(=O)OC(C)OC(=O)C1C=CCCC1.
What is the InChIKey of 1-acetyloxyethyl cyclohex-2-ene-1-carboxylate?
The InChIKey is QHPMKATUSJANGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-8(12)14-9(2)15-11(13)10-6-4-3-5-7-10/h4,6,9-10H,3,5,7H2,1-2H3.
What are the key properties of 1-acetyloxyethyl cyclohex-2-ene-1-carboxylate?
1-acetyloxyethyl cyclohex-2-ene-1-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyloxyethyl cyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 142208667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).