2,2-dimethyl-3-[2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)ethyl]oxirane

C15H24O — CID 21488189

IUPAC2,2-dimethyl-3-[2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)ethyl]oxirane
SMILESC=C1C2CCC(C2)C1(C)CCC1OC1(C)C
InChIInChI=1S/C15H24O/c1-10-11-5-6-12(9-11)15(10,4)8-7-13-14(2,3)16-13/h11-13H,1,5-9H2,2-4H3
InChIKeyVUMMJYFDGUGALL-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.94
Rot. Bonds3

About 2,2-dimethyl-3-[2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)ethyl]oxirane

2,2-dimethyl-3-[2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)ethyl]oxirane (PubChem CID 21488189) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)ethyl]oxirane.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)ethyl]oxirane
PubChem CID21488189
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2,2-dimethyl-3-[2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)ethyl]oxirane
SMILESC=C1C2CCC(C2)C1(C)CCC1OC1(C)C
InChIInChI=1S/C15H24O/c1-10-11-5-6-12(9-11)15(10,4)8-7-13-14(2,3)16-13/h11-13H,1,5-9H2,2-4H3
InChIKeyVUMMJYFDGUGALL-UHFFFAOYSA-N
XLogP3.94
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)ethyl]oxirane?
The IUPAC name of 2,2-dimethyl-3-[2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)ethyl]oxirane (CID 21488189) is 2,2-dimethyl-3-[2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)ethyl]oxirane.
What is the SMILES notation for 2,2-dimethyl-3-[2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)ethyl]oxirane?
The canonical SMILES for 2,2-dimethyl-3-[2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)ethyl]oxirane is C=C1C2CCC(C2)C1(C)CCC1OC1(C)C.
What is the InChIKey of 2,2-dimethyl-3-[2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)ethyl]oxirane?
The InChIKey is VUMMJYFDGUGALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-10-11-5-6-12(9-11)15(10,4)8-7-13-14(2,3)16-13/h11-13H,1,5-9H2,2-4H3.
What are the key properties of 2,2-dimethyl-3-[2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)ethyl]oxirane?
2,2-dimethyl-3-[2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)ethyl]oxirane has a molecular weight of 220.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)ethyl]oxirane is sourced from PubChem (CID 21488189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).