ethyl 2-acetyloxy-2-(6,7-dihydrocyclopenta[c]pyran-5-yl)acetate

C14H16O5 — CID 57142865

IUPACethyl 2-acetyloxy-2-(6,7-dihydrocyclopenta[c]pyran-5-yl)acetate
SMILESCCOC(=O)C(OC(C)=O)C1=C2C=COC=C2CC1
InChIInChI=1S/C14H16O5/c1-3-18-14(16)13(19-9(2)15)12-5-4-10-8-17-7-6-11(10)12/h6-8,13H,3-5H2,1-2H3
InChIKeyILKWTUCRNVILSW-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.00
Rot. Bonds4

About ethyl 2-acetyloxy-2-(6,7-dihydrocyclopenta[c]pyran-5-yl)acetate

ethyl 2-acetyloxy-2-(6,7-dihydrocyclopenta[c]pyran-5-yl)acetate (PubChem CID 57142865) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl 2-acetyloxy-2-(6,7-dihydrocyclopenta[c]pyran-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-acetyloxy-2-(6,7-dihydrocyclopenta[c]pyran-5-yl)acetate
PubChem CID57142865
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Nameethyl 2-acetyloxy-2-(6,7-dihydrocyclopenta[c]pyran-5-yl)acetate
SMILESCCOC(=O)C(OC(C)=O)C1=C2C=COC=C2CC1
InChIInChI=1S/C14H16O5/c1-3-18-14(16)13(19-9(2)15)12-5-4-10-8-17-7-6-11(10)12/h6-8,13H,3-5H2,1-2H3
InChIKeyILKWTUCRNVILSW-UHFFFAOYSA-N
XLogP2.00
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyloxy-2-(6,7-dihydrocyclopenta[c]pyran-5-yl)acetate?
The IUPAC name of ethyl 2-acetyloxy-2-(6,7-dihydrocyclopenta[c]pyran-5-yl)acetate (CID 57142865) is ethyl 2-acetyloxy-2-(6,7-dihydrocyclopenta[c]pyran-5-yl)acetate.
What is the SMILES notation for ethyl 2-acetyloxy-2-(6,7-dihydrocyclopenta[c]pyran-5-yl)acetate?
The canonical SMILES for ethyl 2-acetyloxy-2-(6,7-dihydrocyclopenta[c]pyran-5-yl)acetate is CCOC(=O)C(OC(C)=O)C1=C2C=COC=C2CC1.
What is the InChIKey of ethyl 2-acetyloxy-2-(6,7-dihydrocyclopenta[c]pyran-5-yl)acetate?
The InChIKey is ILKWTUCRNVILSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-3-18-14(16)13(19-9(2)15)12-5-4-10-8-17-7-6-11(10)12/h6-8,13H,3-5H2,1-2H3.
What are the key properties of ethyl 2-acetyloxy-2-(6,7-dihydrocyclopenta[c]pyran-5-yl)acetate?
ethyl 2-acetyloxy-2-(6,7-dihydrocyclopenta[c]pyran-5-yl)acetate has a molecular weight of 264.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyloxy-2-(6,7-dihydrocyclopenta[c]pyran-5-yl)acetate is sourced from PubChem (CID 57142865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).