2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methoxy]oxane

C15H24O2 — CID 11096616

IUPAC2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methoxy]oxane
SMILESCC1(C)[C@@H]2CC(COC3CCCCO3)=C[C@H]1C2
InChIInChI=1S/C15H24O2/c1-15(2)12-7-11(8-13(15)9-12)10-17-14-5-3-4-6-16-14/h7,12-14H,3-6,8-10H2,1-2H3/t12-,13+,14?/m0/s1
InChIKeyPLZOQLYHOBLGJK-WLDKUNSKSA-N
MW236.35 g/mol
LogP3.52
Rot. Bonds3

About 2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methoxy]oxane

2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methoxy]oxane (PubChem CID 11096616) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methoxy]oxane.

Molecular Properties

Compound Name2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methoxy]oxane
PubChem CID11096616
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methoxy]oxane
SMILESCC1(C)[C@@H]2CC(COC3CCCCO3)=C[C@H]1C2
InChIInChI=1S/C15H24O2/c1-15(2)12-7-11(8-13(15)9-12)10-17-14-5-3-4-6-16-14/h7,12-14H,3-6,8-10H2,1-2H3/t12-,13+,14?/m0/s1
InChIKeyPLZOQLYHOBLGJK-WLDKUNSKSA-N
XLogP3.52
TPSA18.46 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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methoxy]oxane 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

1-Methoxy-7,9-dimethyl-2-oxaspiro[5.5]undec-8-ene
CID 66600706
(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl ethyl carbonate
CID 91699569
2-[(2E,6E)-9-[(1R)-2,2-dimethyl-6-methylene-cyclohexyl]-3,7-dimethyl-nona-2,6-dienoxy]tetrahydropyran
CID 12116540
2-[(2E,6E)-9-[(1S)-2,2-dimethyl-6-methylene-cyclohexyl]-3,7-dimethyl-nona-2,6-dienoxy]tetrahydropyran
CID 12116739
1-Methoxy-5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-ene
CID 66600272
[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl methyl carbonate
CID 70641861
(1R,6R,11S)-1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene
CID 155381670
(1S,6R,11R)-1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene
CID 155381671
(1R,6R,11R)-1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene
CID 162716280
(1S,6R,11S)-1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene
CID 164818496
(6,6-Dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl methyl carbonate
CID 13763990
2-[(4,6,6-Trimethyl-2-bicyclo[3.1.1]hept-3-enyl)oxy]oxane
CID 289719

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methoxy]oxane?
The IUPAC name of 2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methoxy]oxane (CID 11096616) is 2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methoxy]oxane.
What is the SMILES notation for 2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methoxy]oxane?
The canonical SMILES for 2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methoxy]oxane is CC1(C)[C@@H]2CC(COC3CCCCO3)=C[C@H]1C2.
What is the InChIKey of 2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methoxy]oxane?
The InChIKey is PLZOQLYHOBLGJK-WLDKUNSKSA-N. The full InChI is InChI=1S/C15H24O2/c1-15(2)12-7-11(8-13(15)9-12)10-17-14-5-3-4-6-16-14/h7,12-14H,3-6,8-10H2,1-2H3/t12-,13+,14?/m0/s1.
What are the key properties of 2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methoxy]oxane?
2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methoxy]oxane has a molecular weight of 236.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methoxy]oxane is sourced from PubChem (CID 11096616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).