(1-ethylcyclopentyl) 3-(3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)-3-hydroxypropanoate

C23H38O4 — CID 20771721

IUPAC(1-ethylcyclopentyl) 3-(3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)-3-hydroxypropanoate
SMILESCCC1OC(CC)C2C3CC(CC3C(O)CC(=O)OC3(CC)CCCC3)C12
InChIInChI=1S/C23H38O4/c1-4-18-21-14-11-15(16(12-14)22(21)19(5-2)26-18)17(24)13-20(25)27-23(6-3)9-7-8-10-23/h14-19,21-22,24H,4-13H2,1-3H3
InChIKeyFCNPACIEPHFWEA-UHFFFAOYSA-N
MW378.55 g/mol
LogP4.48
Rot. Bonds7

About (1-ethylcyclopentyl) 3-(3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)-3-hydroxypropanoate

(1-ethylcyclopentyl) 3-(3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)-3-hydroxypropanoate (PubChem CID 20771721) has the molecular formula C23H38O4 and a molecular weight of 378.55 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 3-(3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)-3-hydroxypropanoate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 3-(3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)-3-hydroxypropanoate
PubChem CID20771721
Molecular FormulaC23H38O4
Molecular Weight378.55 g/mol
Exact Mass378.28
IUPAC Name(1-ethylcyclopentyl) 3-(3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)-3-hydroxypropanoate
SMILESCCC1OC(CC)C2C3CC(CC3C(O)CC(=O)OC3(CC)CCCC3)C12
InChIInChI=1S/C23H38O4/c1-4-18-21-14-11-15(16(12-14)22(21)19(5-2)26-18)17(24)13-20(25)27-23(6-3)9-7-8-10-23/h14-19,21-22,24H,4-13H2,1-3H3
InChIKeyFCNPACIEPHFWEA-UHFFFAOYSA-N
XLogP4.48
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-ethylcyclopentyl) 3-(3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)-3-hydroxypropanoate with MolForge

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Related Compounds

(1-Ethylcyclohexyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate
CID 18336204
(1-Ethylcyclopentyl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate
CID 18336206
(1-Ethylcyclopentyl) 3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-hydroxypropanoate
CID 18336236
(1-Ethylcyclohexyl) 3-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-hydroxypropanoate
CID 18336237
Tert-butyl 3-hydroxy-3-[5-methyl-6-[3-(4-methyl-2,5-dioxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]propanoate
CID 18684349
Tert-butyl 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate
CID 20587128
Tert-butyl 4-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxybutanoate
CID 20587130
(1-Ethylcyclopentyl) 3-acetyloxy-3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propanoate
CID 20587136
3-[(9,10-Dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-hydroxymethyl]oxan-2-one
CID 20608183
3-[(3,5-Diethyl-8-tricyclo[5.2.1.02,6]decanyl)-hydroxymethyl]oxan-2-one
CID 20608193
[(3,5-Diethyl-8-tricyclo[5.2.1.02,6]decanyl)-(2-oxooxan-3-yl)methyl] acetate
CID 20608194
3-[(3,5-Diethyl-8-tricyclo[5.2.1.02,6]decanyl)-hydroxymethyl]oxolan-2-one
CID 20608195

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) 3-(3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)-3-hydroxypropanoate?
The IUPAC name of (1-ethylcyclopentyl) 3-(3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)-3-hydroxypropanoate (CID 20771721) is (1-ethylcyclopentyl) 3-(3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)-3-hydroxypropanoate.
What is the SMILES notation for (1-ethylcyclopentyl) 3-(3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)-3-hydroxypropanoate?
The canonical SMILES for (1-ethylcyclopentyl) 3-(3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)-3-hydroxypropanoate is CCC1OC(CC)C2C3CC(CC3C(O)CC(=O)OC3(CC)CCCC3)C12.
What is the InChIKey of (1-ethylcyclopentyl) 3-(3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)-3-hydroxypropanoate?
The InChIKey is FCNPACIEPHFWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O4/c1-4-18-21-14-11-15(16(12-14)22(21)19(5-2)26-18)17(24)13-20(25)27-23(6-3)9-7-8-10-23/h14-19,21-22,24H,4-13H2,1-3H3.
What are the key properties of (1-ethylcyclopentyl) 3-(3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)-3-hydroxypropanoate?
(1-ethylcyclopentyl) 3-(3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)-3-hydroxypropanoate has a molecular weight of 378.55 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) 3-(3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)-3-hydroxypropanoate is sourced from PubChem (CID 20771721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).