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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Related Compounds

5,6-Epoxy-camphene
CID 85176276
2-Methyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane
CID 23454477
2-(3-Methyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane
CID 23454482
2-(2-Bicyclo[2.2.1]heptanyl)-4-methylideneoxane
CID 23454487
2-(2-Bicyclo[2.2.1]heptanyl)-6-methyl-4-methylideneoxane
CID 23454490
2-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)-6-methyl-4-methylideneoxane
CID 23458135
2-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane
CID 23458136
2-methyl-2-[(1R)-1,2,3-trimethyl-4-methylidenecyclopentyl]oxirane
CID 54167624
2-[3-[(1R,7aR)-4-methanidylidene-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butyl]oxirane;yttrium
CID 59043453
2-[2-[(1R,7aR)-4-methanidylidene-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]oxirane;yttrium
CID 59051117
2-(1-Ethoxyethenyl)bicyclo[2.2.1]heptane
CID 70490093
1-(2-Methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pentan-3-ol
CID 70571636

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).