[2,5-diethyl-4-(1-hydroxycyclopentyl)oxolan-3-yl]methyl acetate

C16H28O4 — CID 23557726

IUPAC[2,5-diethyl-4-(1-hydroxycyclopentyl)oxolan-3-yl]methyl acetate
SMILESCCC1OC(CC)C(C2(O)CCCC2)C1COC(C)=O
InChIInChI=1S/C16H28O4/c1-4-13-12(10-19-11(3)17)15(14(5-2)20-13)16(18)8-6-7-9-16/h12-15,18H,4-10H2,1-3H3
InChIKeyUTEPKILYXOCFHV-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.67
Rot. Bonds5

About [2,5-diethyl-4-(1-hydroxycyclopentyl)oxolan-3-yl]methyl acetate

[2,5-diethyl-4-(1-hydroxycyclopentyl)oxolan-3-yl]methyl acetate (PubChem CID 23557726) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is [2,5-diethyl-4-(1-hydroxycyclopentyl)oxolan-3-yl]methyl acetate.

Molecular Properties

Compound Name[2,5-diethyl-4-(1-hydroxycyclopentyl)oxolan-3-yl]methyl acetate
PubChem CID23557726
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name[2,5-diethyl-4-(1-hydroxycyclopentyl)oxolan-3-yl]methyl acetate
SMILESCCC1OC(CC)C(C2(O)CCCC2)C1COC(C)=O
InChIInChI=1S/C16H28O4/c1-4-13-12(10-19-11(3)17)15(14(5-2)20-13)16(18)8-6-7-9-16/h12-15,18H,4-10H2,1-3H3
InChIKeyUTEPKILYXOCFHV-UHFFFAOYSA-N
XLogP2.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate
CID 67276829
[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
CID 131700350
[(4R,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl acetate
CID 11052681
[(5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl acetate
CID 118601719
[(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl acetate
CID 11062516
CID 42560815
CID 42560815
2-oxaspiro[4.5]decan-1-ylmethyl acetate
CID 102349423
[(2S,3R,6R,7R,9S,10R)-10-(acetyloxymethyl)-9-pentacyclo[4.4.0.02,4.03,8.05,7]decanyl]methyl acetate
CID 100895939
(6-ethyl-2,2-dimethylcyclohexyl)methyl acetate
CID 70464202
[(4R,5R)-5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 14157593
[5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 14157591
2-[(2R,5S)-5-ethyl-3,4-dimethyloxolan-2-yl]ethyl acetate
CID 70905687

Frequently Asked Questions

What is the IUPAC name of [2,5-diethyl-4-(1-hydroxycyclopentyl)oxolan-3-yl]methyl acetate?
The IUPAC name of [2,5-diethyl-4-(1-hydroxycyclopentyl)oxolan-3-yl]methyl acetate (CID 23557726) is [2,5-diethyl-4-(1-hydroxycyclopentyl)oxolan-3-yl]methyl acetate.
What is the SMILES notation for [2,5-diethyl-4-(1-hydroxycyclopentyl)oxolan-3-yl]methyl acetate?
The canonical SMILES for [2,5-diethyl-4-(1-hydroxycyclopentyl)oxolan-3-yl]methyl acetate is CCC1OC(CC)C(C2(O)CCCC2)C1COC(C)=O.
What is the InChIKey of [2,5-diethyl-4-(1-hydroxycyclopentyl)oxolan-3-yl]methyl acetate?
The InChIKey is UTEPKILYXOCFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-4-13-12(10-19-11(3)17)15(14(5-2)20-13)16(18)8-6-7-9-16/h12-15,18H,4-10H2,1-3H3.
What are the key properties of [2,5-diethyl-4-(1-hydroxycyclopentyl)oxolan-3-yl]methyl acetate?
[2,5-diethyl-4-(1-hydroxycyclopentyl)oxolan-3-yl]methyl acetate has a molecular weight of 284.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-diethyl-4-(1-hydroxycyclopentyl)oxolan-3-yl]methyl acetate is sourced from PubChem (CID 23557726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).