[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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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).