3,5-diethyl-9-(1-ethylcyclopentyl)oxycarbonyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid

C22H34O5 — CID 20771732

IUPAC3,5-diethyl-9-(1-ethylcyclopentyl)oxycarbonyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid
SMILESCCC1OC(CC)C2C3CC(C(C(=O)O)C3C(=O)OC3(CC)CCCC3)C12
InChIInChI=1S/C22H34O5/c1-4-14-16-12-11-13(17(16)15(5-2)26-14)19(18(12)20(23)24)21(25)27-22(6-3)9-7-8-10-22/h12-19H,4-11H2,1-3H3,(H,23,24)
InChIKeyOPIYVDVWKNNFRS-UHFFFAOYSA-N
MW378.51 g/mol
LogP4.04
Rot. Bonds6

About 3,5-diethyl-9-(1-ethylcyclopentyl)oxycarbonyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid

3,5-diethyl-9-(1-ethylcyclopentyl)oxycarbonyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid (PubChem CID 20771732) has the molecular formula C22H34O5 and a molecular weight of 378.51 g/mol. Its IUPAC name is 3,5-diethyl-9-(1-ethylcyclopentyl)oxycarbonyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid.

Molecular Properties

Compound Name3,5-diethyl-9-(1-ethylcyclopentyl)oxycarbonyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid
PubChem CID20771732
Molecular FormulaC22H34O5
Molecular Weight378.51 g/mol
Exact Mass378.24
IUPAC Name3,5-diethyl-9-(1-ethylcyclopentyl)oxycarbonyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid
SMILESCCC1OC(CC)C2C3CC(C(C(=O)O)C3C(=O)OC3(CC)CCCC3)C12
InChIInChI=1S/C22H34O5/c1-4-14-16-12-11-13(17(16)15(5-2)26-14)19(18(12)20(23)24)21(25)27-22(6-3)9-7-8-10-22/h12-19H,4-11H2,1-3H3,(H,23,24)
InChIKeyOPIYVDVWKNNFRS-UHFFFAOYSA-N
XLogP4.04
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-diethyl-9-(1-ethylcyclopentyl)oxycarbonyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid with MolForge

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Related Compounds

2-Methyl-4-[[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]methyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 18719534
(1-Propan-2-ylcyclopentyl) 3-(3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)-3-hydroxybutanoate
CID 20771719
(1-Ethylcyclopentyl) 3-(3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)-3-hydroxypropanoate
CID 20771721
(1-Ethylcyclopentyl) 3-acetyloxy-3-(3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)propanoate
CID 20771723
(1-Ethylcyclopentyl) 3,5-diethyl-8-methyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate
CID 20771725
3,5-Diethyl-9-(methoxymethyl)-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid
CID 20771726
(1-Ethylcyclopentyl) 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate
CID 20771727
8-O-(2-ethyl-2-bicyclo[2.2.1]heptanyl) 9-O-(1-ethylcyclopentyl) 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate
CID 20771728
Bis(1-ethylcyclopentyl) 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate
CID 20771729
8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate
CID 20771730
3,5-Diethyl-9-methoxycarbonyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid
CID 20771731
3-[5-Hydroperoxy-2-[hydroperoxy-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-4,6,6-trimethyloctyl]-4-pentan-3-yloxolane-2,5-dione
CID 21133618

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-9-(1-ethylcyclopentyl)oxycarbonyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid?
The IUPAC name of 3,5-diethyl-9-(1-ethylcyclopentyl)oxycarbonyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid (CID 20771732) is 3,5-diethyl-9-(1-ethylcyclopentyl)oxycarbonyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid.
What is the SMILES notation for 3,5-diethyl-9-(1-ethylcyclopentyl)oxycarbonyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid?
The canonical SMILES for 3,5-diethyl-9-(1-ethylcyclopentyl)oxycarbonyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid is CCC1OC(CC)C2C3CC(C(C(=O)O)C3C(=O)OC3(CC)CCCC3)C12.
What is the InChIKey of 3,5-diethyl-9-(1-ethylcyclopentyl)oxycarbonyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid?
The InChIKey is OPIYVDVWKNNFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O5/c1-4-14-16-12-11-13(17(16)15(5-2)26-14)19(18(12)20(23)24)21(25)27-22(6-3)9-7-8-10-22/h12-19H,4-11H2,1-3H3,(H,23,24).
What are the key properties of 3,5-diethyl-9-(1-ethylcyclopentyl)oxycarbonyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid?
3,5-diethyl-9-(1-ethylcyclopentyl)oxycarbonyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid has a molecular weight of 378.51 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-9-(1-ethylcyclopentyl)oxycarbonyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid is sourced from PubChem (CID 20771732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).