(1-ethylcyclopentyl) 3,5-diethyl-8-methyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate

C22H36O3 — CID 20771725

IUPAC(1-ethylcyclopentyl) 3,5-diethyl-8-methyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate
SMILESCCC1OC(CC)C2C1C1CC2C(C)(C(=O)OC2(CC)CCCC2)C1
InChIInChI=1S/C22H36O3/c1-5-16-18-14-12-15(19(18)17(6-2)24-16)21(4,13-14)20(23)25-22(7-3)10-8-9-11-22/h14-19H,5-13H2,1-4H3
InChIKeyPTLQTPMJPPYSNV-UHFFFAOYSA-N
MW348.53 g/mol
LogP5.12
Rot. Bonds5

About (1-ethylcyclopentyl) 3,5-diethyl-8-methyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate

(1-ethylcyclopentyl) 3,5-diethyl-8-methyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate (PubChem CID 20771725) has the molecular formula C22H36O3 and a molecular weight of 348.53 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 3,5-diethyl-8-methyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 3,5-diethyl-8-methyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate
PubChem CID20771725
Molecular FormulaC22H36O3
Molecular Weight348.53 g/mol
Exact Mass348.27
IUPAC Name(1-ethylcyclopentyl) 3,5-diethyl-8-methyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate
SMILESCCC1OC(CC)C2C1C1CC2C(C)(C(=O)OC2(CC)CCCC2)C1
InChIInChI=1S/C22H36O3/c1-5-16-18-14-12-15(19(18)17(6-2)24-16)21(4,13-14)20(23)25-22(7-3)10-8-9-11-22/h14-19H,5-13H2,1-4H3
InChIKeyPTLQTPMJPPYSNV-UHFFFAOYSA-N
XLogP5.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-ethylcyclopentyl) 3,5-diethyl-8-methyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate with MolForge

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Related Compounds

Tert-butyl 3,3,5,5-tetramethyl-8-(trifluoromethyl)-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate
CID 23520726
Methyl 3,3,5,5-tetramethyl-8-(trifluoromethyl)-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate
CID 71157981
Tert-butyl 8-(trifluoromethyl)-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate
CID 101166647
(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-Ethylcyclohexyl) 2-(3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)propanoate
CID 20771724
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
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-(1-ethylcyclopentyl)oxycarbonyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid
CID 20771732

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) 3,5-diethyl-8-methyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate?
The IUPAC name of (1-ethylcyclopentyl) 3,5-diethyl-8-methyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate (CID 20771725) is (1-ethylcyclopentyl) 3,5-diethyl-8-methyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate.
What is the SMILES notation for (1-ethylcyclopentyl) 3,5-diethyl-8-methyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate?
The canonical SMILES for (1-ethylcyclopentyl) 3,5-diethyl-8-methyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate is CCC1OC(CC)C2C1C1CC2C(C)(C(=O)OC2(CC)CCCC2)C1.
What is the InChIKey of (1-ethylcyclopentyl) 3,5-diethyl-8-methyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate?
The InChIKey is PTLQTPMJPPYSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O3/c1-5-16-18-14-12-15(19(18)17(6-2)24-16)21(4,13-14)20(23)25-22(7-3)10-8-9-11-22/h14-19H,5-13H2,1-4H3.
What are the key properties of (1-ethylcyclopentyl) 3,5-diethyl-8-methyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate?
(1-ethylcyclopentyl) 3,5-diethyl-8-methyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate has a molecular weight of 348.53 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) 3,5-diethyl-8-methyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate is sourced from PubChem (CID 20771725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).