1-methoxy-5-methylbicyclo[3.2.1]octan-6-one

C10H16O2 — CID 13108605

IUPAC1-methoxy-5-methylbicyclo[3.2.1]octan-6-one
SMILESCOC12CCCC(C)(C1)C(=O)C2
InChIInChI=1S/C10H16O2/c1-9-4-3-5-10(7-9,12-2)6-8(9)11/h3-7H2,1-2H3
InChIKeyNMBNGPWBDJUZNX-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.92
Rot. Bonds1

About 1-methoxy-5-methylbicyclo[3.2.1]octan-6-one

1-methoxy-5-methylbicyclo[3.2.1]octan-6-one (PubChem CID 13108605) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-methoxy-5-methylbicyclo[3.2.1]octan-6-one.

Molecular Properties

Compound Name1-methoxy-5-methylbicyclo[3.2.1]octan-6-one
PubChem CID13108605
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-methoxy-5-methylbicyclo[3.2.1]octan-6-one
SMILESCOC12CCCC(C)(C1)C(=O)C2
InChIInChI=1S/C10H16O2/c1-9-4-3-5-10(7-9,12-2)6-8(9)11/h3-7H2,1-2H3
InChIKeyNMBNGPWBDJUZNX-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-1-methylbicyclo[2.2.2]octan-2-one
CID 535116
4-(methoxymethoxy)-1-methylbicyclo[2.2.2]octan-2-one
CID 102216284
2-methoxy-2-methylcyclopropan-1-one
CID 57185083
(3S)-3-methoxy-2,2,3-trimethylcyclobutan-1-one
CID 96581858
5-methoxy-1-methyl-2-azabicyclo[3.2.2]nonan-3-one
CID 602970
1,5-dimethylbicyclo[3.2.0]heptan-6-one
CID 71351670
(1R,5R,9S,13S)-N-tert-butyl-5,9,13-trimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxamide
CID 42601326
6,6-dimethylspiro[2.3]hexan-5-one
CID 178200675
potassium (1R,4S,5R,9S,10R,13S)-5,9,13-trimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
CID 72720706
(1S,5S)-4,4-dimethyltricyclo[3.3.1.01,5]nonan-2-one
CID 14060945
3-methoxy-3-methylazepan-2-one
CID 89257718
tricyclo[3.3.2.01,5]decan-9-one
CID 12564319

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-methylbicyclo[3.2.1]octan-6-one?
The IUPAC name of 1-methoxy-5-methylbicyclo[3.2.1]octan-6-one (CID 13108605) is 1-methoxy-5-methylbicyclo[3.2.1]octan-6-one.
What is the SMILES notation for 1-methoxy-5-methylbicyclo[3.2.1]octan-6-one?
The canonical SMILES for 1-methoxy-5-methylbicyclo[3.2.1]octan-6-one is COC12CCCC(C)(C1)C(=O)C2.
What is the InChIKey of 1-methoxy-5-methylbicyclo[3.2.1]octan-6-one?
The InChIKey is NMBNGPWBDJUZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9-4-3-5-10(7-9,12-2)6-8(9)11/h3-7H2,1-2H3.
What are the key properties of 1-methoxy-5-methylbicyclo[3.2.1]octan-6-one?
1-methoxy-5-methylbicyclo[3.2.1]octan-6-one has a molecular weight of 168.24 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-methylbicyclo[3.2.1]octan-6-one is sourced from PubChem (CID 13108605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).