3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one

C15H24O2 — CID 18336225

IUPAC3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one
SMILESCC1C2CC(CCC3CCOC3=O)C(C2)C1C
InChIInChI=1S/C15H24O2/c1-9-10(2)14-8-13(9)7-12(14)4-3-11-5-6-17-15(11)16/h9-14H,3-8H2,1-2H3
InChIKeyVVDKHQSHCFOSBR-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.26
Rot. Bonds3

About 3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one

3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one (PubChem CID 18336225) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one.

Molecular Properties

Compound Name3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one
PubChem CID18336225
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one
SMILESCC1C2CC(CCC3CCOC3=O)C(C2)C1C
InChIInChI=1S/C15H24O2/c1-9-10(2)14-8-13(9)7-12(14)4-3-11-5-6-17-15(11)16/h9-14H,3-8H2,1-2H3
InChIKeyVVDKHQSHCFOSBR-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one with MolForge

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Related Compounds

Methyl 2-norbornanecarboxylate
CID 261531
4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester
CID 14833045
Bicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl-, methyl ester
CID 103659
Ethyl bicyclo(2.2.1)heptane-2-carboxylate
CID 108540
cis-3,6-Endomethylene tetrahydrophthalic anhydride
CID 10931793
Hexahydro-3,6-methanophthalic anhydride
CID 96196
Ethyl (1R,2R,6R,7S)-tricyclo[5.2.1.02,6]decane-2-carboxylate
CID 157342
4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3aalpha,4alpha,7alpha,7aalpha)-
CID 157343
Methyl 2-methylbicyclo[2.2.1]heptane-2-carboxylate
CID 524298
Methyl 6-oxobicyclo(2.2.1)heptane-2-carboxylate
CID 12268689
Ethyl bicyclo[2.2.1]hept-2-ylacetate
CID 15312317
Dimethyl bicyclo(2.2.1)heptane-2,3-dicarboxylate
CID 288659

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one?
The IUPAC name of 3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one (CID 18336225) is 3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one.
What is the SMILES notation for 3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one?
The canonical SMILES for 3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one is CC1C2CC(CCC3CCOC3=O)C(C2)C1C.
What is the InChIKey of 3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one?
The InChIKey is VVDKHQSHCFOSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-9-10(2)14-8-13(9)7-12(14)4-3-11-5-6-17-15(11)16/h9-14H,3-8H2,1-2H3.
What are the key properties of 3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one?
3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one has a molecular weight of 236.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one is sourced from PubChem (CID 18336225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).