7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane

C11H18O — CID 162826037

IUPAC7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
SMILESC=C1C2CCC(C2OC)C1(C)C
InChIInChI=1S/C11H18O/c1-7-8-5-6-9(10(8)12-4)11(7,2)3/h8-10H,1,5-6H2,2-4H3
InChIKeyQTEGODAIQGBLOX-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.62
Rot. Bonds1

About 7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane

7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane (PubChem CID 162826037) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
PubChem CID162826037
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
SMILESC=C1C2CCC(C2OC)C1(C)C
InChIInChI=1S/C11H18O/c1-7-8-5-6-9(10(8)12-4)11(7,2)3/h8-10H,1,5-6H2,2-4H3
InChIKeyQTEGODAIQGBLOX-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
The IUPAC name of 7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane (CID 162826037) is 7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for 7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
The canonical SMILES for 7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane is C=C1C2CCC(C2OC)C1(C)C.
What is the InChIKey of 7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
The InChIKey is QTEGODAIQGBLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-7-8-5-6-9(10(8)12-4)11(7,2)3/h8-10H,1,5-6H2,2-4H3.
What are the key properties of 7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane has a molecular weight of 166.26 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 162826037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).