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

C15H24O2 — CID 22979007

IUPAC5-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one
SMILESCC1C2CC(CCC3CCC(=O)O3)C(C2)C1C
InChIInChI=1S/C15H24O2/c1-9-10(2)14-8-12(9)7-11(14)3-4-13-5-6-15(16)17-13/h9-14H,3-8H2,1-2H3
InChIKeyNCPHJMLILWPKHJ-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.40
Rot. Bonds3

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

5-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one (PubChem CID 22979007) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 5-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one.

Molecular Properties

Compound Name5-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one
PubChem CID22979007
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name5-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one
SMILESCC1C2CC(CCC3CCC(=O)O3)C(C2)C1C
InChIInChI=1S/C15H24O2/c1-9-10(2)14-8-12(9)7-11(14)3-4-13-5-6-15(16)17-13/h9-14H,3-8H2,1-2H3
InChIKeyNCPHJMLILWPKHJ-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one?
The IUPAC name of 5-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one (CID 22979007) is 5-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one.
What is the SMILES notation for 5-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one?
The canonical SMILES for 5-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one is CC1C2CC(CCC3CCC(=O)O3)C(C2)C1C.
What is the InChIKey of 5-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one?
The InChIKey is NCPHJMLILWPKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-9-10(2)14-8-12(9)7-11(14)3-4-13-5-6-15(16)17-13/h9-14H,3-8H2,1-2H3.
What are the key properties of 5-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one?
5-[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 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]oxolan-2-one is sourced from PubChem (CID 22979007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).