[3-acetyloxy-2-(2-hydroxyethyl)-1-(oxan-2-yloxymethyl)cyclopentyl]methyl acetate

C18H30O7 — CID 21449124

IUPAC[3-acetyloxy-2-(2-hydroxyethyl)-1-(oxan-2-yloxymethyl)cyclopentyl]methyl acetate
SMILESCC(=O)OCC1(COC2CCCCO2)CCC(OC(C)=O)C1CCO
InChIInChI=1S/C18H30O7/c1-13(20)23-11-18(12-24-17-5-3-4-10-22-17)8-6-16(25-14(2)21)15(18)7-9-19/h15-17,19H,3-12H2,1-2H3
InChIKeyQLXRDZJRINXXQF-UHFFFAOYSA-N
MW358.43 g/mol
LogP1.80
Rot. Bonds8

About [3-acetyloxy-2-(2-hydroxyethyl)-1-(oxan-2-yloxymethyl)cyclopentyl]methyl acetate

[3-acetyloxy-2-(2-hydroxyethyl)-1-(oxan-2-yloxymethyl)cyclopentyl]methyl acetate (PubChem CID 21449124) has the molecular formula C18H30O7 and a molecular weight of 358.43 g/mol. Its IUPAC name is [3-acetyloxy-2-(2-hydroxyethyl)-1-(oxan-2-yloxymethyl)cyclopentyl]methyl acetate.

Molecular Properties

Compound Name[3-acetyloxy-2-(2-hydroxyethyl)-1-(oxan-2-yloxymethyl)cyclopentyl]methyl acetate
PubChem CID21449124
Molecular FormulaC18H30O7
Molecular Weight358.43 g/mol
Exact Mass358.20
IUPAC Name[3-acetyloxy-2-(2-hydroxyethyl)-1-(oxan-2-yloxymethyl)cyclopentyl]methyl acetate
SMILESCC(=O)OCC1(COC2CCCCO2)CCC(OC(C)=O)C1CCO
InChIInChI=1S/C18H30O7/c1-13(20)23-11-18(12-24-17-5-3-4-10-22-17)8-6-16(25-14(2)21)15(18)7-9-19/h15-17,19H,3-12H2,1-2H3
InChIKeyQLXRDZJRINXXQF-UHFFFAOYSA-N
XLogP1.80
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate
CID 143065428
2-(oxan-2-yloxy)ethyl carbamate
CID 22442425
2-[(2-methyloxiran-2-yl)methoxy]oxane
CID 71425923
1-(oxan-2-yloxymethyl)cyclobutan-1-ol
CID 175776398
[(1S,2R,3S)-4-acetyloxy-2-(oxan-2-yloxymethyl)-3-(2-oxoethyl)cyclopentyl]methyl acetate
CID 22796485
[(E)-3-methyl-4-(oxan-2-yloxy)but-2-enyl] acetate
CID 11096364
(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;[(3R,3aR,6S,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] acetate;(3S,3aR,6R,6aR)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;[(3R,3aR,6S,6aR)-3-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] acetate
CID 161034005
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
bis[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethyl] 2,2-dimethylpropanedioate
CID 54155676
(6S)-6-methyl-7-(oxan-2-yloxy)heptan-2-one
CID 11622725

Frequently Asked Questions

What is the IUPAC name of [3-acetyloxy-2-(2-hydroxyethyl)-1-(oxan-2-yloxymethyl)cyclopentyl]methyl acetate?
The IUPAC name of [3-acetyloxy-2-(2-hydroxyethyl)-1-(oxan-2-yloxymethyl)cyclopentyl]methyl acetate (CID 21449124) is [3-acetyloxy-2-(2-hydroxyethyl)-1-(oxan-2-yloxymethyl)cyclopentyl]methyl acetate.
What is the SMILES notation for [3-acetyloxy-2-(2-hydroxyethyl)-1-(oxan-2-yloxymethyl)cyclopentyl]methyl acetate?
The canonical SMILES for [3-acetyloxy-2-(2-hydroxyethyl)-1-(oxan-2-yloxymethyl)cyclopentyl]methyl acetate is CC(=O)OCC1(COC2CCCCO2)CCC(OC(C)=O)C1CCO.
What is the InChIKey of [3-acetyloxy-2-(2-hydroxyethyl)-1-(oxan-2-yloxymethyl)cyclopentyl]methyl acetate?
The InChIKey is QLXRDZJRINXXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O7/c1-13(20)23-11-18(12-24-17-5-3-4-10-22-17)8-6-16(25-14(2)21)15(18)7-9-19/h15-17,19H,3-12H2,1-2H3.
What are the key properties of [3-acetyloxy-2-(2-hydroxyethyl)-1-(oxan-2-yloxymethyl)cyclopentyl]methyl acetate?
[3-acetyloxy-2-(2-hydroxyethyl)-1-(oxan-2-yloxymethyl)cyclopentyl]methyl acetate has a molecular weight of 358.43 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetyloxy-2-(2-hydroxyethyl)-1-(oxan-2-yloxymethyl)cyclopentyl]methyl acetate is sourced from PubChem (CID 21449124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).