[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-1-(2-oxooxolan-3-yl)ethyl] acetate

C22H34O4 — CID 20608201

IUPAC[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-1-(2-oxooxolan-3-yl)ethyl] acetate
SMILESCCC1CC(CC)C2C3CC(CC3CC(OC(C)=O)C3CCOC3=O)C12
InChIInChI=1S/C22H34O4/c1-4-13-8-14(5-2)21-18-10-16(20(13)21)9-15(18)11-19(26-12(3)23)17-6-7-25-22(17)24/h13-21H,4-11H2,1-3H3
InChIKeyFOFPRRKCLHAVRC-UHFFFAOYSA-N
MW362.51 g/mol
LogP4.22
Rot. Bonds6

About [2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-1-(2-oxooxolan-3-yl)ethyl] acetate

[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-1-(2-oxooxolan-3-yl)ethyl] acetate (PubChem CID 20608201) has the molecular formula C22H34O4 and a molecular weight of 362.51 g/mol. Its IUPAC name is [2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-1-(2-oxooxolan-3-yl)ethyl] acetate.

Molecular Properties

Compound Name[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-1-(2-oxooxolan-3-yl)ethyl] acetate
PubChem CID20608201
Molecular FormulaC22H34O4
Molecular Weight362.51 g/mol
Exact Mass362.25
IUPAC Name[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-1-(2-oxooxolan-3-yl)ethyl] acetate
SMILESCCC1CC(CC)C2C3CC(CC3CC(OC(C)=O)C3CCOC3=O)C12
InChIInChI=1S/C22H34O4/c1-4-13-8-14(5-2)21-18-10-16(20(13)21)9-15(18)11-19(26-12(3)23)17-6-7-25-22(17)24/h13-21H,4-11H2,1-3H3
InChIKeyFOFPRRKCLHAVRC-UHFFFAOYSA-N
XLogP4.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-1-(2-oxooxolan-3-yl)ethyl] acetate with MolForge

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Related Compounds

[1-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1-(2-oxooxolan-3-yl)ethyl] 2,2,2-trifluoroacetate
CID 20608157
[(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxolan-3-yl)methyl] 2,2,2-trifluoroacetate
CID 20608178
[(2,4-Diethylcyclopentyl)-(2-oxooxolan-3-yl)methyl] 2,2,2-trifluoroacetate;3-[(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-hydroxymethyl]oxolan-2-one
CID 91389927
Tert-butyl 3-[5-methyl-6-(4-methyl-2,5-dioxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl]-3-(2,2,2-trifluoroacetyl)oxypropanoate;methane
CID 157108094
3-Cyclopentyl-2,2-difluoro-3-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxypropanoate
CID 172480921
(Octahydro-4,7-methano-1H-indenediyl)bis(methylene) dilaurate
CID 71301397
[3-(Octanoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl octanoate
CID 118856698
(5-Oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 18336314
[1-(2-Bicyclo[2.2.1]heptanyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 18684321
[1-(2-Bicyclo[2.2.1]heptanyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] cyclopentanecarboxylate
CID 18684324
Tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoate
CID 18684353
[1-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] 2,2-dimethylpropanoate
CID 20587132

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-1-(2-oxooxolan-3-yl)ethyl] acetate?
The IUPAC name of [2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-1-(2-oxooxolan-3-yl)ethyl] acetate (CID 20608201) is [2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-1-(2-oxooxolan-3-yl)ethyl] acetate.
What is the SMILES notation for [2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-1-(2-oxooxolan-3-yl)ethyl] acetate?
The canonical SMILES for [2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-1-(2-oxooxolan-3-yl)ethyl] acetate is CCC1CC(CC)C2C3CC(CC3CC(OC(C)=O)C3CCOC3=O)C12.
What is the InChIKey of [2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-1-(2-oxooxolan-3-yl)ethyl] acetate?
The InChIKey is FOFPRRKCLHAVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O4/c1-4-13-8-14(5-2)21-18-10-16(20(13)21)9-15(18)11-19(26-12(3)23)17-6-7-25-22(17)24/h13-21H,4-11H2,1-3H3.
What are the key properties of [2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-1-(2-oxooxolan-3-yl)ethyl] acetate?
[2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-1-(2-oxooxolan-3-yl)ethyl] acetate has a molecular weight of 362.51 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-1-(2-oxooxolan-3-yl)ethyl] acetate is sourced from PubChem (CID 20608201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).