2-methoxy-2,3,7-trimethylbicyclo[3.3.1]nonane

C13H24O — CID 143348770

IUPAC2-methoxy-2,3,7-trimethylbicyclo[3.3.1]nonane
SMILESCOC1(C)C(C)CC2CC(C)CC1C2
InChIInChI=1S/C13H24O/c1-9-5-11-7-10(2)13(3,14-4)12(6-9)8-11/h9-12H,5-8H2,1-4H3
InChIKeyBWFGJRRXMNWEEU-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.48
Rot. Bonds1

About 2-methoxy-2,3,7-trimethylbicyclo[3.3.1]nonane

2-methoxy-2,3,7-trimethylbicyclo[3.3.1]nonane (PubChem CID 143348770) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2-methoxy-2,3,7-trimethylbicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2-methoxy-2,3,7-trimethylbicyclo[3.3.1]nonane
PubChem CID143348770
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2-methoxy-2,3,7-trimethylbicyclo[3.3.1]nonane
SMILESCOC1(C)C(C)CC2CC(C)CC1C2
InChIInChI=1S/C13H24O/c1-9-5-11-7-10(2)13(3,14-4)12(6-9)8-11/h9-12H,5-8H2,1-4H3
InChIKeyBWFGJRRXMNWEEU-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,3,7-trimethylbicyclo[3.3.1]nonane?
The IUPAC name of 2-methoxy-2,3,7-trimethylbicyclo[3.3.1]nonane (CID 143348770) is 2-methoxy-2,3,7-trimethylbicyclo[3.3.1]nonane.
What is the SMILES notation for 2-methoxy-2,3,7-trimethylbicyclo[3.3.1]nonane?
The canonical SMILES for 2-methoxy-2,3,7-trimethylbicyclo[3.3.1]nonane is COC1(C)C(C)CC2CC(C)CC1C2.
What is the InChIKey of 2-methoxy-2,3,7-trimethylbicyclo[3.3.1]nonane?
The InChIKey is BWFGJRRXMNWEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-9-5-11-7-10(2)13(3,14-4)12(6-9)8-11/h9-12H,5-8H2,1-4H3.
What are the key properties of 2-methoxy-2,3,7-trimethylbicyclo[3.3.1]nonane?
2-methoxy-2,3,7-trimethylbicyclo[3.3.1]nonane has a molecular weight of 196.33 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,3,7-trimethylbicyclo[3.3.1]nonane is sourced from PubChem (CID 143348770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).