2-[(6,6-dimethyl-2-tricyclo[5.2.1.01,5]dec-8-enyl)methoxy]oxane

C18H28O2 — CID 14166728

IUPAC2-[(6,6-dimethyl-2-tricyclo[5.2.1.01,5]dec-8-enyl)methoxy]oxane
SMILESCC1(C)C2C=CC3(C2)C(COC2CCCCO2)CCC13
InChIInChI=1S/C18H28O2/c1-17(2)13-8-9-18(11-13)14(6-7-15(17)18)12-20-16-5-3-4-10-19-16/h8-9,13-16H,3-7,10-12H2,1-2H3
InChIKeyIOIYRYVREBLSIU-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.16
Rot. Bonds3

About 2-[(6,6-dimethyl-2-tricyclo[5.2.1.01,5]dec-8-enyl)methoxy]oxane

2-[(6,6-dimethyl-2-tricyclo[5.2.1.01,5]dec-8-enyl)methoxy]oxane (PubChem CID 14166728) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[(6,6-dimethyl-2-tricyclo[5.2.1.01,5]dec-8-enyl)methoxy]oxane.

Molecular Properties

Compound Name2-[(6,6-dimethyl-2-tricyclo[5.2.1.01,5]dec-8-enyl)methoxy]oxane
PubChem CID14166728
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name2-[(6,6-dimethyl-2-tricyclo[5.2.1.01,5]dec-8-enyl)methoxy]oxane
SMILESCC1(C)C2C=CC3(C2)C(COC2CCCCO2)CCC13
InChIInChI=1S/C18H28O2/c1-17(2)13-8-9-18(11-13)14(6-7-15(17)18)12-20-16-5-3-4-10-19-16/h8-9,13-16H,3-7,10-12H2,1-2H3
InChIKeyIOIYRYVREBLSIU-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]
CID 134895236
2'-Bicyclo(2.2.1)hept-5-en-2-ylspiro(bicyclo(2.2.1)hept-5-ene-2,5'-(1,3)dioxane)
CID 107174
2-Propan-2-ylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]
CID 134879078
2-[(2-Methyl-2-bicyclo[2.2.1]hept-5-enyl)methoxy]oxane
CID 22336746
2-[(5S)-5-cyclopentyl-1-(oxan-2-yloxy)-7-[(1R,2S)-2-prop-1-enylcyclopentyl]heptoxy]oxane
CID 56620853
2-[(5S)-5-[(1R,3R)-3-butylcyclopentyl]-1-(oxan-2-yloxy)-7-[(1R,2S)-2-prop-1-enylcyclopentyl]heptoxy]oxane
CID 56621895
2-[(5S)-1-(oxan-2-yloxy)-7-[(1R,2S)-2-prop-1-enylcyclopentyl]-5-[(1R,3R)-3-propylcyclopentyl]heptoxy]oxane
CID 56630234
2-[[(2R,3aS,6aS)-6a-[(Z)-prop-1-enyl]-2,3,3a,4-tetrahydro-1H-pentalen-2-yl]oxy]oxane
CID 68115951
5-Butan-2-yl-5-methyl-2-(8-tricyclo[5.2.1.02,6]dec-4-enyl)-1,3-dioxane
CID 69534003
5-Butan-2-yl-5-methyl-2-(8-tricyclo[5.2.1.02,6]dec-3-enyl)-1,3-dioxane
CID 69534011
2-[(7a-Methyl-1,2,3,3a,4,5-hexahydroinden-2-yl)oxy]oxane
CID 70439532
5-(1-Ethoxyethoxymethyl)-5-propylbicyclo[2.2.1]hept-2-ene
CID 89639117

Frequently Asked Questions

What is the IUPAC name of 2-[(6,6-dimethyl-2-tricyclo[5.2.1.01,5]dec-8-enyl)methoxy]oxane?
The IUPAC name of 2-[(6,6-dimethyl-2-tricyclo[5.2.1.01,5]dec-8-enyl)methoxy]oxane (CID 14166728) is 2-[(6,6-dimethyl-2-tricyclo[5.2.1.01,5]dec-8-enyl)methoxy]oxane.
What is the SMILES notation for 2-[(6,6-dimethyl-2-tricyclo[5.2.1.01,5]dec-8-enyl)methoxy]oxane?
The canonical SMILES for 2-[(6,6-dimethyl-2-tricyclo[5.2.1.01,5]dec-8-enyl)methoxy]oxane is CC1(C)C2C=CC3(C2)C(COC2CCCCO2)CCC13.
What is the InChIKey of 2-[(6,6-dimethyl-2-tricyclo[5.2.1.01,5]dec-8-enyl)methoxy]oxane?
The InChIKey is IOIYRYVREBLSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-17(2)13-8-9-18(11-13)14(6-7-15(17)18)12-20-16-5-3-4-10-19-16/h8-9,13-16H,3-7,10-12H2,1-2H3.
What are the key properties of 2-[(6,6-dimethyl-2-tricyclo[5.2.1.01,5]dec-8-enyl)methoxy]oxane?
2-[(6,6-dimethyl-2-tricyclo[5.2.1.01,5]dec-8-enyl)methoxy]oxane has a molecular weight of 276.42 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,6-dimethyl-2-tricyclo[5.2.1.01,5]dec-8-enyl)methoxy]oxane is sourced from PubChem (CID 14166728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).