(2-oxooxolan-3-yl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate

C19H28O4 — CID 54475485

IUPAC(2-oxooxolan-3-yl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
SMILESCCC1CC(CC)C2C3CC(CC3C(=O)OC3CCOC3=O)C12
InChIInChI=1S/C19H28O4/c1-3-10-7-11(4-2)17-13-8-12(16(10)17)9-14(13)18(20)23-15-5-6-22-19(15)21/h10-17H,3-9H2,1-2H3
InChIKeyXLGSOARKECPWCQ-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.19
Rot. Bonds4

About (2-oxooxolan-3-yl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate

(2-oxooxolan-3-yl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate (PubChem CID 54475485) has the molecular formula C19H28O4 and a molecular weight of 320.43 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
PubChem CID54475485
Molecular FormulaC19H28O4
Molecular Weight320.43 g/mol
Exact Mass320.20
IUPAC Name(2-oxooxolan-3-yl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
SMILESCCC1CC(CC)C2C3CC(CC3C(=O)OC3CCOC3=O)C12
InChIInChI=1S/C19H28O4/c1-3-10-7-11(4-2)17-13-8-12(16(10)17)9-14(13)18(20)23-15-5-6-22-19(15)21/h10-17H,3-9H2,1-2H3
InChIKeyXLGSOARKECPWCQ-UHFFFAOYSA-N
XLogP3.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate?
The IUPAC name of (2-oxooxolan-3-yl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate (CID 54475485) is (2-oxooxolan-3-yl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate.
What is the SMILES notation for (2-oxooxolan-3-yl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate?
The canonical SMILES for (2-oxooxolan-3-yl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate is CCC1CC(CC)C2C3CC(CC3C(=O)OC3CCOC3=O)C12.
What is the InChIKey of (2-oxooxolan-3-yl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate?
The InChIKey is XLGSOARKECPWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O4/c1-3-10-7-11(4-2)17-13-8-12(16(10)17)9-14(13)18(20)23-15-5-6-22-19(15)21/h10-17H,3-9H2,1-2H3.
What are the key properties of (2-oxooxolan-3-yl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate?
(2-oxooxolan-3-yl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate has a molecular weight of 320.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate is sourced from PubChem (CID 54475485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).