[3-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopentyl] acetate

C12H20O4 — CID 131856151

IUPAC[3-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopentyl] acetate
SMILESCC(=O)OC1CCC(CC2(C)OCCO2)C1
InChIInChI=1S/C12H20O4/c1-9(13)16-11-4-3-10(7-11)8-12(2)14-5-6-15-12/h10-11H,3-8H2,1-2H3
InChIKeyKLFUBZFNZHFWKE-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.87
Rot. Bonds3

About [3-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopentyl] acetate

[3-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopentyl] acetate (PubChem CID 131856151) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is [3-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopentyl] acetate.

Molecular Properties

Compound Name[3-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopentyl] acetate
PubChem CID131856151
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name[3-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopentyl] acetate
SMILESCC(=O)OC1CCC(CC2(C)OCCO2)C1
InChIInChI=1S/C12H20O4/c1-9(13)16-11-4-3-10(7-11)8-12(2)14-5-6-15-12/h10-11H,3-8H2,1-2H3
InChIKeyKLFUBZFNZHFWKE-UHFFFAOYSA-N
XLogP1.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-oxopropyl)cyclopentyl] acetate
CID 71394247
[(1S,3R)-3-(2-chloro-2-oxoethyl)cyclopentyl] acetate
CID 127260731
1,4-dioxaspiro[4.5]decan-8-yl acetate
CID 45037040
[(1S,3R,4S)-3,4-diacetyloxycyclohexyl] acetate
CID 12026264
[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate
CID 54211622
(1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl) acetate
CID 129162581
(3-acetyloxycyclohexyl) propanoate;ethane
CID 142313832
[(2R,4S)-2-methoxyoxan-4-yl] acetate
CID 153373300
[(2R,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate
CID 123494192
cyclopropane;oxan-4-yl acetate
CID 69401848
[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate
CID 70197099
[(2R,6R)-6-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate
CID 6427576

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopentyl] acetate?
The IUPAC name of [3-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopentyl] acetate (CID 131856151) is [3-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopentyl] acetate.
What is the SMILES notation for [3-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopentyl] acetate?
The canonical SMILES for [3-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopentyl] acetate is CC(=O)OC1CCC(CC2(C)OCCO2)C1.
What is the InChIKey of [3-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopentyl] acetate?
The InChIKey is KLFUBZFNZHFWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-9(13)16-11-4-3-10(7-11)8-12(2)14-5-6-15-12/h10-11H,3-8H2,1-2H3.
What are the key properties of [3-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopentyl] acetate?
[3-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopentyl] acetate has a molecular weight of 228.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopentyl] acetate is sourced from PubChem (CID 131856151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).