2,2,6-trimethyl-7,11-dioxatricyclo[6.2.1.01,6]undec-4-ene

C12H18O2 — CID 91748033

IUPAC2,2,6-trimethyl-7,11-dioxatricyclo[6.2.1.01,6]undec-4-ene
SMILESCC1(C)CC=CC2(C)OC3CCC12O3
InChIInChI=1S/C12H18O2/c1-10(2)6-4-7-11(3)12(10)8-5-9(13-11)14-12/h4,7,9H,5-6,8H2,1-3H3
InChIKeyDFJRLXSMMWWPFG-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.64
Rot. Bonds

About 2,2,6-trimethyl-7,11-dioxatricyclo[6.2.1.01,6]undec-4-ene

2,2,6-trimethyl-7,11-dioxatricyclo[6.2.1.01,6]undec-4-ene (PubChem CID 91748033) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2,2,6-trimethyl-7,11-dioxatricyclo[6.2.1.01,6]undec-4-ene.

Molecular Properties

Compound Name2,2,6-trimethyl-7,11-dioxatricyclo[6.2.1.01,6]undec-4-ene
PubChem CID91748033
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2,2,6-trimethyl-7,11-dioxatricyclo[6.2.1.01,6]undec-4-ene
SMILESCC1(C)CC=CC2(C)OC3CCC12O3
InChIInChI=1S/C12H18O2/c1-10(2)6-4-7-11(3)12(10)8-5-9(13-11)14-12/h4,7,9H,5-6,8H2,1-3H3
InChIKeyDFJRLXSMMWWPFG-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.64
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

5,9:6,9-Diepoxy-3-megastigmene
CID 73817712
(1R,6S,8R)-2,2,6,8-tetramethyl-7,11-dioxatricyclo[6.2.1.01,6]undec-4-ene
CID 21636591
(1R,4S,10R,12S,13R,14R)-12-methyl-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-6-ene
CID 10584482
(1R,7R,10R,12S,13S,14S)-12-methyl-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-ene
CID 10679881

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-7,11-dioxatricyclo[6.2.1.01,6]undec-4-ene?
The IUPAC name of 2,2,6-trimethyl-7,11-dioxatricyclo[6.2.1.01,6]undec-4-ene (CID 91748033) is 2,2,6-trimethyl-7,11-dioxatricyclo[6.2.1.01,6]undec-4-ene.
What is the SMILES notation for 2,2,6-trimethyl-7,11-dioxatricyclo[6.2.1.01,6]undec-4-ene?
The canonical SMILES for 2,2,6-trimethyl-7,11-dioxatricyclo[6.2.1.01,6]undec-4-ene is CC1(C)CC=CC2(C)OC3CCC12O3.
What is the InChIKey of 2,2,6-trimethyl-7,11-dioxatricyclo[6.2.1.01,6]undec-4-ene?
The InChIKey is DFJRLXSMMWWPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-10(2)6-4-7-11(3)12(10)8-5-9(13-11)14-12/h4,7,9H,5-6,8H2,1-3H3.
What are the key properties of 2,2,6-trimethyl-7,11-dioxatricyclo[6.2.1.01,6]undec-4-ene?
2,2,6-trimethyl-7,11-dioxatricyclo[6.2.1.01,6]undec-4-ene has a molecular weight of 194.27 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-7,11-dioxatricyclo[6.2.1.01,6]undec-4-ene is sourced from PubChem (CID 91748033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).