8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate

C24H38O4 — CID 21351612

IUPAC8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate
SMILESCCC1CC(CC)C2C3CC(C(C(=O)OC)C3C(=O)OC3(CC)CCCC3)C12
InChIInChI=1S/C24H38O4/c1-5-14-12-15(6-2)19-17-13-16(18(14)19)20(22(25)27-4)21(17)23(26)28-24(7-3)10-8-9-11-24/h14-21H,5-13H2,1-4H3
InChIKeyJKSWCZDHSMEMKP-UHFFFAOYSA-N
MW390.56 g/mol
LogP5.00
Rot. Bonds6

About 8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate

8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate (PubChem CID 21351612) has the molecular formula C24H38O4 and a molecular weight of 390.56 g/mol. Its IUPAC name is 8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate.

Molecular Properties

Compound Name8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate
PubChem CID21351612
Molecular FormulaC24H38O4
Molecular Weight390.56 g/mol
Exact Mass390.28
IUPAC Name8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate
SMILESCCC1CC(CC)C2C3CC(C(C(=O)OC)C3C(=O)OC3(CC)CCCC3)C12
InChIInChI=1S/C24H38O4/c1-5-14-12-15(6-2)19-17-13-16(18(14)19)20(22(25)27-4)21(17)23(26)28-24(7-3)10-8-9-11-24/h14-21H,5-13H2,1-4H3
InChIKeyJKSWCZDHSMEMKP-UHFFFAOYSA-N
XLogP5.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.56
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate?
The IUPAC name of 8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate (CID 21351612) is 8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate.
What is the SMILES notation for 8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate?
The canonical SMILES for 8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate is CCC1CC(CC)C2C3CC(C(C(=O)OC)C3C(=O)OC3(CC)CCCC3)C12.
What is the InChIKey of 8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate?
The InChIKey is JKSWCZDHSMEMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O4/c1-5-14-12-15(6-2)19-17-13-16(18(14)19)20(22(25)27-4)21(17)23(26)28-24(7-3)10-8-9-11-24/h14-21H,5-13H2,1-4H3.
What are the key properties of 8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate?
8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate has a molecular weight of 390.56 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate is sourced from PubChem (CID 21351612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).