2-methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene

C11H18O — CID 15739039

IUPAC2-methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
SMILESCOC1=CC2CCC1(C)C2(C)C
InChIInChI=1S/C11H18O/c1-10(2)8-5-6-11(10,3)9(7-8)12-4/h7-8H,5-6H2,1-4H3
InChIKeyBHONJRAHWIADFD-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.97
Rot. Bonds1

About 2-methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene

2-methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene (PubChem CID 15739039) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name2-methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
PubChem CID15739039
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
SMILESCOC1=CC2CCC1(C)C2(C)C
InChIInChI=1S/C11H18O/c1-10(2)8-5-6-11(10,3)9(7-8)12-4/h7-8H,5-6H2,1-4H3
InChIKeyBHONJRAHWIADFD-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 2-methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene (CID 15739039) is 2-methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 2-methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 2-methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene is COC1=CC2CCC1(C)C2(C)C.
What is the InChIKey of 2-methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?
The InChIKey is BHONJRAHWIADFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-10(2)8-5-6-11(10,3)9(7-8)12-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?
2-methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene has a molecular weight of 166.26 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 15739039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).