[2-(acetyloxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate

C11H14O4 — CID 174867972

IUPAC[2-(acetyloxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate
SMILESCC(=O)OCC1=C(COC(C)=O)CC=C1
InChIInChI=1S/C11H14O4/c1-8(12)14-6-10-4-3-5-11(10)7-15-9(2)13/h3-4H,5-7H2,1-2H3
InChIKeySJJLKNZLJHZGPZ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.37
Rot. Bonds4

About [2-(acetyloxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate

[2-(acetyloxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate (PubChem CID 174867972) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is [2-(acetyloxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate.

Molecular Properties

Compound Name[2-(acetyloxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate
PubChem CID174867972
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name[2-(acetyloxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate
SMILESCC(=O)OCC1=C(COC(C)=O)CC=C1
InChIInChI=1S/C11H14O4/c1-8(12)14-6-10-4-3-5-11(10)7-15-9(2)13/h3-4H,5-7H2,1-2H3
InChIKeySJJLKNZLJHZGPZ-UHFFFAOYSA-N
XLogP1.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(acetyloxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate?
The IUPAC name of [2-(acetyloxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate (CID 174867972) is [2-(acetyloxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate.
What is the SMILES notation for [2-(acetyloxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate?
The canonical SMILES for [2-(acetyloxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate is CC(=O)OCC1=C(COC(C)=O)CC=C1.
What is the InChIKey of [2-(acetyloxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate?
The InChIKey is SJJLKNZLJHZGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-8(12)14-6-10-4-3-5-11(10)7-15-9(2)13/h3-4H,5-7H2,1-2H3.
What are the key properties of [2-(acetyloxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate?
[2-(acetyloxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate has a molecular weight of 210.23 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(acetyloxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate is sourced from PubChem (CID 174867972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).