cyclohex-2-en-1-yl 2-acetyloxy-2-phenylacetate

C16H18O4 — CID 14926823

IUPACcyclohex-2-en-1-yl 2-acetyloxy-2-phenylacetate
SMILESCC(=O)OC(C(=O)OC1C=CCCC1)c1ccccc1
InChIInChI=1S/C16H18O4/c1-12(17)19-15(13-8-4-2-5-9-13)16(18)20-14-10-6-3-7-11-14/h2,4-6,8-10,14-15H,3,7,11H2,1H3
InChIKeyREPUVRPKXGDVCJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.94
Rot. Bonds4

About cyclohex-2-en-1-yl 2-acetyloxy-2-phenylacetate

cyclohex-2-en-1-yl 2-acetyloxy-2-phenylacetate (PubChem CID 14926823) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is cyclohex-2-en-1-yl 2-acetyloxy-2-phenylacetate.

Molecular Properties

Compound Namecyclohex-2-en-1-yl 2-acetyloxy-2-phenylacetate
PubChem CID14926823
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Namecyclohex-2-en-1-yl 2-acetyloxy-2-phenylacetate
SMILESCC(=O)OC(C(=O)OC1C=CCCC1)c1ccccc1
InChIInChI=1S/C16H18O4/c1-12(17)19-15(13-8-4-2-5-9-13)16(18)20-14-10-6-3-7-11-14/h2,4-6,8-10,14-15H,3,7,11H2,1H3
InChIKeyREPUVRPKXGDVCJ-UHFFFAOYSA-N
XLogP2.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohex-2-en-1-yl acetate;methane
CID 159882311
cyclohexene;cyclohex-2-en-1-yl benzoate
CID 158500035
[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl] (2S)-2-acetyloxy-2-phenylacetate
CID 101492909
[(1R)-cyclohept-2-en-1-yl] acetate
CID 12858459
acetyl (2R)-2-acetyloxy-2-phenylacetate
CID 57080873
[(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate
CID 101414086
[(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate
CID 14932680
(2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-methoxy-2-phenylacetamide
CID 10060436
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
methyl 2-(cyclohex-2-en-1-ylamino)-2-phenylacetate
CID 115618836
(2,3,3-trifluoro-1-phenylprop-2-enyl) acetate
CID 11984228
ethenyl 2-acetyloxy-2-phenylacetate
CID 174358025

Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-yl 2-acetyloxy-2-phenylacetate?
The IUPAC name of cyclohex-2-en-1-yl 2-acetyloxy-2-phenylacetate (CID 14926823) is cyclohex-2-en-1-yl 2-acetyloxy-2-phenylacetate.
What is the SMILES notation for cyclohex-2-en-1-yl 2-acetyloxy-2-phenylacetate?
The canonical SMILES for cyclohex-2-en-1-yl 2-acetyloxy-2-phenylacetate is CC(=O)OC(C(=O)OC1C=CCCC1)c1ccccc1.
What is the InChIKey of cyclohex-2-en-1-yl 2-acetyloxy-2-phenylacetate?
The InChIKey is REPUVRPKXGDVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-12(17)19-15(13-8-4-2-5-9-13)16(18)20-14-10-6-3-7-11-14/h2,4-6,8-10,14-15H,3,7,11H2,1H3.
What are the key properties of cyclohex-2-en-1-yl 2-acetyloxy-2-phenylacetate?
cyclohex-2-en-1-yl 2-acetyloxy-2-phenylacetate has a molecular weight of 274.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-yl 2-acetyloxy-2-phenylacetate is sourced from PubChem (CID 14926823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).