3,3-dimethyl-5-methylidene-4-oxatricyclo[5.2.1.02,6]dec-8-ene

C12H16O — CID 20695165

IUPAC3,3-dimethyl-5-methylidene-4-oxatricyclo[5.2.1.02,6]dec-8-ene
SMILESC=C1OC(C)(C)C2C3C=CC(C3)C12
InChIInChI=1S/C12H16O/c1-7-10-8-4-5-9(6-8)11(10)12(2,3)13-7/h4-5,8-11H,1,6H2,2-3H3
InChIKeyLWVZVGBYXMSCKL-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.75
Rot. Bonds

About 3,3-dimethyl-5-methylidene-4-oxatricyclo[5.2.1.02,6]dec-8-ene

3,3-dimethyl-5-methylidene-4-oxatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 20695165) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 3,3-dimethyl-5-methylidene-4-oxatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name3,3-dimethyl-5-methylidene-4-oxatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID20695165
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name3,3-dimethyl-5-methylidene-4-oxatricyclo[5.2.1.02,6]dec-8-ene
SMILESC=C1OC(C)(C)C2C3C=CC(C3)C12
InChIInChI=1S/C12H16O/c1-7-10-8-4-5-9(6-8)11(10)12(2,3)13-7/h4-5,8-11H,1,6H2,2-3H3
InChIKeyLWVZVGBYXMSCKL-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Lignorene
CID 134555475
5-[2-Fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]bicyclo[2.2.1]hept-2-ene
CID 23405515
5-[2-Fluoro-2-[(2-methylpropan-2-yl)oxy]propyl]bicyclo[2.2.1]hept-2-ene
CID 23405516
1,2,3,3a,6,7,8,8a,8b-Nonahydro-3a-methylcyclopenta[b]benzofuran
CID 14044770
(1R,2R,7S,9S)-7,9-dimethyl-8-oxatricyclo[5.4.0.02,9]undec-3-ene
CID 10631175
2-[2-(2-Bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane
CID 18676486
1,3,9,10,10-Pentamethyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene
CID 18737064
5-Methylidenespiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,1'-cyclopentane]
CID 20695162
3-Ethyl-3-methyl-5-methylidene-4-oxatricyclo[5.2.1.02,6]dec-8-ene
CID 20695169
3-[1-(2-Bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane
CID 21045092
5-[2-[(2-Methylpropan-2-yl)oxy]propan-2-yl]bicyclo[2.2.1]hept-2-ene
CID 23405510
2-[3-(2-Bicyclo[2.2.1]hept-5-enyl)propyl]oxolane
CID 23555963

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-methylidene-4-oxatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 3,3-dimethyl-5-methylidene-4-oxatricyclo[5.2.1.02,6]dec-8-ene (CID 20695165) is 3,3-dimethyl-5-methylidene-4-oxatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 3,3-dimethyl-5-methylidene-4-oxatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 3,3-dimethyl-5-methylidene-4-oxatricyclo[5.2.1.02,6]dec-8-ene is C=C1OC(C)(C)C2C3C=CC(C3)C12.
What is the InChIKey of 3,3-dimethyl-5-methylidene-4-oxatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is LWVZVGBYXMSCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-7-10-8-4-5-9(6-8)11(10)12(2,3)13-7/h4-5,8-11H,1,6H2,2-3H3.
What are the key properties of 3,3-dimethyl-5-methylidene-4-oxatricyclo[5.2.1.02,6]dec-8-ene?
3,3-dimethyl-5-methylidene-4-oxatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 176.26 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-methylidene-4-oxatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 20695165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).