[(2R)-2-acetyloxy-3-cyclopenta-1,3-dien-1-ylpropyl] acetate

C12H16O4 — CID 101096370

IUPAC[(2R)-2-acetyloxy-3-cyclopenta-1,3-dien-1-ylpropyl] acetate
SMILESCC(=O)OC[C@@H](CC1=CC=CC1)OC(C)=O
InChIInChI=1S/C12H16O4/c1-9(13)15-8-12(16-10(2)14)7-11-5-3-4-6-11/h3-5,12H,6-8H2,1-2H3/t12-/m1/s1
InChIKeyUTQOELKXEDZINE-GFCCVEGCSA-N
MW224.26 g/mol
LogP1.76
Rot. Bonds5

About [(2R)-2-acetyloxy-3-cyclopenta-1,3-dien-1-ylpropyl] acetate

[(2R)-2-acetyloxy-3-cyclopenta-1,3-dien-1-ylpropyl] acetate (PubChem CID 101096370) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is [(2R)-2-acetyloxy-3-cyclopenta-1,3-dien-1-ylpropyl] acetate.

Molecular Properties

Compound Name[(2R)-2-acetyloxy-3-cyclopenta-1,3-dien-1-ylpropyl] acetate
PubChem CID101096370
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name[(2R)-2-acetyloxy-3-cyclopenta-1,3-dien-1-ylpropyl] acetate
SMILESCC(=O)OC[C@@H](CC1=CC=CC1)OC(C)=O
InChIInChI=1S/C12H16O4/c1-9(13)15-8-12(16-10(2)14)7-11-5-3-4-6-11/h3-5,12H,6-8H2,1-2H3/t12-/m1/s1
InChIKeyUTQOELKXEDZINE-GFCCVEGCSA-N
XLogP1.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,5S)-2,5,6-triacetyloxyhexyl] acetate
CID 91758706
azane;2,3-diacetyloxypropyl acetate;hydrochloride
CID 173356168
1-(2-methylpropyl)cyclopenta-1,3-diene
CID 528164
(2-acetyloxy-4-phenylbutyl) acetate
CID 15049204
2,3-diacetyloxypropyl 2-hydroperoxyacetate
CID 88932780
(2-acetyloxy-3-trimethylsilyloxypropyl) acetate
CID 91709764
2,3-diacetyloxypropyl 2-methylprop-2-enoate
CID 18979747
[2-acetyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] acetate
CID 11111678
(2-acetyloxy-6-hydroxyhexyl) acetate
CID 12014749
(2-acetyloxy-5-bromopentyl) acetate
CID 72961243
[2-acetyloxy-3-(1,1-diiodoethoxy)propyl] acetate
CID 118586406
(2-acetyloxy-3-butoxypropyl) acetate
CID 14173108

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-acetyloxy-3-cyclopenta-1,3-dien-1-ylpropyl] acetate?
The IUPAC name of [(2R)-2-acetyloxy-3-cyclopenta-1,3-dien-1-ylpropyl] acetate (CID 101096370) is [(2R)-2-acetyloxy-3-cyclopenta-1,3-dien-1-ylpropyl] acetate.
What is the SMILES notation for [(2R)-2-acetyloxy-3-cyclopenta-1,3-dien-1-ylpropyl] acetate?
The canonical SMILES for [(2R)-2-acetyloxy-3-cyclopenta-1,3-dien-1-ylpropyl] acetate is CC(=O)OC[C@@H](CC1=CC=CC1)OC(C)=O.
What is the InChIKey of [(2R)-2-acetyloxy-3-cyclopenta-1,3-dien-1-ylpropyl] acetate?
The InChIKey is UTQOELKXEDZINE-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16O4/c1-9(13)15-8-12(16-10(2)14)7-11-5-3-4-6-11/h3-5,12H,6-8H2,1-2H3/t12-/m1/s1.
What are the key properties of [(2R)-2-acetyloxy-3-cyclopenta-1,3-dien-1-ylpropyl] acetate?
[(2R)-2-acetyloxy-3-cyclopenta-1,3-dien-1-ylpropyl] acetate has a molecular weight of 224.26 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-acetyloxy-3-cyclopenta-1,3-dien-1-ylpropyl] acetate is sourced from PubChem (CID 101096370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).