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

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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).