3-methoxy-8-methyl-8-propan-2-ylbicyclo[3.2.1]octane

C13H24O — CID 58974280

IUPAC3-methoxy-8-methyl-8-propan-2-ylbicyclo[3.2.1]octane
SMILESCOC1CC2CCC(C1)C2(C)C(C)C
InChIInChI=1S/C13H24O/c1-9(2)13(3)10-5-6-11(13)8-12(7-10)14-4/h9-12H,5-8H2,1-4H3
InChIKeyWCSCMQXGWZYZSW-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.48
Rot. Bonds2

About 3-methoxy-8-methyl-8-propan-2-ylbicyclo[3.2.1]octane

3-methoxy-8-methyl-8-propan-2-ylbicyclo[3.2.1]octane (PubChem CID 58974280) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 3-methoxy-8-methyl-8-propan-2-ylbicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-methoxy-8-methyl-8-propan-2-ylbicyclo[3.2.1]octane
PubChem CID58974280
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name3-methoxy-8-methyl-8-propan-2-ylbicyclo[3.2.1]octane
SMILESCOC1CC2CCC(C1)C2(C)C(C)C
InChIInChI=1S/C13H24O/c1-9(2)13(3)10-5-6-11(13)8-12(7-10)14-4/h9-12H,5-8H2,1-4H3
InChIKeyWCSCMQXGWZYZSW-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 3-methoxy-8-methyl-8-propan-2-ylbicyclo[3.2.1]octane?
The IUPAC name of 3-methoxy-8-methyl-8-propan-2-ylbicyclo[3.2.1]octane (CID 58974280) is 3-methoxy-8-methyl-8-propan-2-ylbicyclo[3.2.1]octane.
What is the SMILES notation for 3-methoxy-8-methyl-8-propan-2-ylbicyclo[3.2.1]octane?
The canonical SMILES for 3-methoxy-8-methyl-8-propan-2-ylbicyclo[3.2.1]octane is COC1CC2CCC(C1)C2(C)C(C)C.
What is the InChIKey of 3-methoxy-8-methyl-8-propan-2-ylbicyclo[3.2.1]octane?
The InChIKey is WCSCMQXGWZYZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-9(2)13(3)10-5-6-11(13)8-12(7-10)14-4/h9-12H,5-8H2,1-4H3.
What are the key properties of 3-methoxy-8-methyl-8-propan-2-ylbicyclo[3.2.1]octane?
3-methoxy-8-methyl-8-propan-2-ylbicyclo[3.2.1]octane has a molecular weight of 196.33 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-8-methyl-8-propan-2-ylbicyclo[3.2.1]octane is sourced from PubChem (CID 58974280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).