(1R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]oct-4-ene

C15H24O — CID 6429153

IUPAC(1R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]oct-4-ene
SMILESCC(C)=CCCC1(C)O[C@@]2(C)CC=C1CC2
InChIInChI=1S/C15H24O/c1-12(2)6-5-9-15(4)13-7-10-14(3,16-15)11-8-13/h6-7H,5,8-11H2,1-4H3/t14-,15?/m0/s1
InChIKeyGWHXPRLXLILZQF-MLCCFXAWSA-N
MW220.36 g/mol
LogP4.39
Rot. Bonds3

About (1R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]oct-4-ene

(1R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]oct-4-ene (PubChem CID 6429153) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]oct-4-ene.

Molecular Properties

Compound Name(1R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]oct-4-ene
PubChem CID6429153
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]oct-4-ene
SMILESCC(C)=CCCC1(C)O[C@@]2(C)CC=C1CC2
InChIInChI=1S/C15H24O/c1-12(2)6-5-9-15(4)13-7-10-14(3,16-15)11-8-13/h6-7H,5,8-11H2,1-4H3/t14-,15?/m0/s1
InChIKeyGWHXPRLXLILZQF-MLCCFXAWSA-N
XLogP4.39
TPSA9.23 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 ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]oct-4-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dehydro-1,8-cineole
CID 523035
Cabreuva oxide D
CID 21603104
(3S,4aS,8aS)-1,1,3,6-Tetramethyl-3-vinyl-3,4,4a,7,8,8a-hexahydro-1H-isochromene
CID 91700484
Isodactyloxene
CID 24763559
Cabreuva oxide B
CID 15677814
Cabreuva oxide C
CID 21603100
(1S,4R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-5-ene
CID 11564505
(1S,3S,4R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]oct-5-ene
CID 15043226
1-(1-(Allyloxy)-1-methylethyl)-4-methyl-1-cyclohexene
CID 377298
1-(1-Methoxy-1-methylethyl)-4-methyl-1-cyclohexene
CID 377296
4-Methyl-1-oxaspiro[5.5]undec-3-ene
CID 11116424
(3S,4aR,8aS)-1,1,3,6-Tetramethyl-3-vinyl-3,4,4a,7,8,8a-hexahydro-1H-isochromene
CID 73798807

Frequently Asked Questions

What is the IUPAC name of (1R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]oct-4-ene?
The IUPAC name of (1R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]oct-4-ene (CID 6429153) is (1R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]oct-4-ene.
What is the SMILES notation for (1R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]oct-4-ene?
The canonical SMILES for (1R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]oct-4-ene is CC(C)=CCCC1(C)O[C@@]2(C)CC=C1CC2.
What is the InChIKey of (1R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]oct-4-ene?
The InChIKey is GWHXPRLXLILZQF-MLCCFXAWSA-N. The full InChI is InChI=1S/C15H24O/c1-12(2)6-5-9-15(4)13-7-10-14(3,16-15)11-8-13/h6-7H,5,8-11H2,1-4H3/t14-,15?/m0/s1.
What are the key properties of (1R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]oct-4-ene?
(1R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]oct-4-ene has a molecular weight of 220.36 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]oct-4-ene is sourced from PubChem (CID 6429153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).