(2-oxooxolan-3-yl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate

C16H24O5 — CID 20593692

IUPAC(2-oxooxolan-3-yl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate
SMILESCC1C2CC(C(O)CC(=O)OC3CCOC3=O)C(C2)C1C
InChIInChI=1S/C16H24O5/c1-8-9(2)11-5-10(8)6-12(11)13(17)7-15(18)21-14-3-4-20-16(14)19/h8-14,17H,3-7H2,1-2H3
InChIKeyZRVGMNKIEUNEQL-UHFFFAOYSA-N
MW296.36 g/mol
LogP1.52
Rot. Bonds4

About (2-oxooxolan-3-yl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate

(2-oxooxolan-3-yl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate (PubChem CID 20593692) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate
PubChem CID20593692
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name(2-oxooxolan-3-yl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate
SMILESCC1C2CC(C(O)CC(=O)OC3CCOC3=O)C(C2)C1C
InChIInChI=1S/C16H24O5/c1-8-9(2)11-5-10(8)6-12(11)13(17)7-15(18)21-14-3-4-20-16(14)19/h8-14,17H,3-7H2,1-2H3
InChIKeyZRVGMNKIEUNEQL-UHFFFAOYSA-N
XLogP1.52
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-oxooxolan-3-yl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate?
The IUPAC name of (2-oxooxolan-3-yl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate (CID 20593692) is (2-oxooxolan-3-yl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate?
The canonical SMILES for (2-oxooxolan-3-yl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate is CC1C2CC(C(O)CC(=O)OC3CCOC3=O)C(C2)C1C.
What is the InChIKey of (2-oxooxolan-3-yl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate?
The InChIKey is ZRVGMNKIEUNEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5/c1-8-9(2)11-5-10(8)6-12(11)13(17)7-15(18)21-14-3-4-20-16(14)19/h8-14,17H,3-7H2,1-2H3.
What are the key properties of (2-oxooxolan-3-yl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate?
(2-oxooxolan-3-yl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate has a molecular weight of 296.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-hydroxypropanoate is sourced from PubChem (CID 20593692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).