9-O-ethyl 8-O-(2-hydroxyethyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate

C20H32O5 — CID 54286461

IUPAC9-O-ethyl 8-O-(2-hydroxyethyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate
SMILESCCOC(=O)C1C2CC(C1C(=O)OCCO)C1C(CC)CC(CC)C21
InChIInChI=1S/C20H32O5/c1-4-11-9-12(5-2)16-14-10-13(15(11)16)17(19(22)24-6-3)18(14)20(23)25-8-7-21/h11-18,21H,4-10H2,1-3H3
InChIKeyRULLZUONEBYLEI-UHFFFAOYSA-N
MW352.47 g/mol
LogP2.66
Rot. Bonds7

About 9-O-ethyl 8-O-(2-hydroxyethyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate

9-O-ethyl 8-O-(2-hydroxyethyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate (PubChem CID 54286461) has the molecular formula C20H32O5 and a molecular weight of 352.47 g/mol. Its IUPAC name is 9-O-ethyl 8-O-(2-hydroxyethyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate.

Molecular Properties

Compound Name9-O-ethyl 8-O-(2-hydroxyethyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate
PubChem CID54286461
Molecular FormulaC20H32O5
Molecular Weight352.47 g/mol
Exact Mass352.22
IUPAC Name9-O-ethyl 8-O-(2-hydroxyethyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate
SMILESCCOC(=O)C1C2CC(C1C(=O)OCCO)C1C(CC)CC(CC)C21
InChIInChI=1S/C20H32O5/c1-4-11-9-12(5-2)16-14-10-13(15(11)16)17(19(22)24-6-3)18(14)20(23)25-8-7-21/h11-18,21H,4-10H2,1-3H3
InChIKeyRULLZUONEBYLEI-UHFFFAOYSA-N
XLogP2.66
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-O-ethyl 8-O-(2-hydroxyethyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate with MolForge

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Related Compounds

4-O-ethyl 5-O-(2-hydroxyethyl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4,5-dicarboxylate
CID 54125944
2-adamantyl 3,5-diethyl-9-(2-hydroxyethylcarbamoyl)tricyclo[5.2.1.02,6]decane-8-carboxylate
CID 54051176
2-hydroxyethyl 3-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 68584016
8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate
CID 21351612
diethyl (1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 11107465
diethyl (1R,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 58077966
diethyl (2R,3R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 59722419
5-ethoxycarbonyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 141321163
ethyl (1S,3S,4R,6S)-3,4-dihydroxybicyclo[4.1.0]heptane-7-carboxylate
CID 98525001
3,5-diethyl-9-(methoxymethyl)tricyclo[5.2.1.02,6]decane-8-carboxylic acid
CID 21351604
tetrakis(2-hydroxyethyl) cyclohexane-1,2,4,5-tetracarboxylate
CID 66984791
2-[2-(2-ethoxyethoxy)ethoxycarbonyl]-3,5-diethylcyclopentane-1-carboxylic acid
CID 54208615

Frequently Asked Questions

What is the IUPAC name of 9-O-ethyl 8-O-(2-hydroxyethyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate?
The IUPAC name of 9-O-ethyl 8-O-(2-hydroxyethyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate (CID 54286461) is 9-O-ethyl 8-O-(2-hydroxyethyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate.
What is the SMILES notation for 9-O-ethyl 8-O-(2-hydroxyethyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate?
The canonical SMILES for 9-O-ethyl 8-O-(2-hydroxyethyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate is CCOC(=O)C1C2CC(C1C(=O)OCCO)C1C(CC)CC(CC)C21.
What is the InChIKey of 9-O-ethyl 8-O-(2-hydroxyethyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate?
The InChIKey is RULLZUONEBYLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O5/c1-4-11-9-12(5-2)16-14-10-13(15(11)16)17(19(22)24-6-3)18(14)20(23)25-8-7-21/h11-18,21H,4-10H2,1-3H3.
What are the key properties of 9-O-ethyl 8-O-(2-hydroxyethyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate?
9-O-ethyl 8-O-(2-hydroxyethyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate has a molecular weight of 352.47 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-O-ethyl 8-O-(2-hydroxyethyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate is sourced from PubChem (CID 54286461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).