1,6,6-trimethyl-8-oxabicyclo[3.2.1]octan-2-one

C10H16O2 — CID 580361

IUPAC1,6,6-trimethyl-8-oxabicyclo[3.2.1]octan-2-one
SMILESCC12CC(C)(C)C(CCC1=O)O2
InChIInChI=1S/C10H16O2/c1-9(2)6-10(3)7(11)4-5-8(9)12-10/h8H,4-6H2,1-3H3
InChIKeyJRMBWGJPPSEEIW-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.92
Rot. Bonds

About 1,6,6-trimethyl-8-oxabicyclo[3.2.1]octan-2-one

1,6,6-trimethyl-8-oxabicyclo[3.2.1]octan-2-one (PubChem CID 580361) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,6,6-trimethyl-8-oxabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name1,6,6-trimethyl-8-oxabicyclo[3.2.1]octan-2-one
PubChem CID580361
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1,6,6-trimethyl-8-oxabicyclo[3.2.1]octan-2-one
SMILESCC12CC(C)(C)C(CCC1=O)O2
InChIInChI=1S/C10H16O2/c1-9(2)6-10(3)7(11)4-5-8(9)12-10/h8H,4-6H2,1-3H3
InChIKeyJRMBWGJPPSEEIW-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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

Analyze 1,6,6-trimethyl-8-oxabicyclo[3.2.1]octan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(5S,8S)-8-ethyl-6-oxaspiro[4.5]decan-4-one
CID 10655025
(5R,7S,9R)-7,9-dimethyl-6-oxaspiro[4.5]decan-4-one
CID 10655026
(5R,8S)-8-ethyl-6-oxaspiro[4.5]decan-4-one
CID 10679003
(5S,7S,9R)-7,9-dimethyl-6-oxaspiro[4.5]decan-4-one
CID 10773779
(1R,5R,7R)-7-butoxy-5-methyl-8-oxabicyclo[3.2.1]octan-2-one
CID 101436876
(1R,5S)-5-methyl-8-oxabicyclo[3.2.1]octan-6-one
CID 134872680
1-[(1S,2R,4S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-1-yl]ethanone
CID 134872792
(1R,5S)-1-methyl-8-oxabicyclo[3.2.1]octan-6-one
CID 134931511
(5S)-8,8-dimethyl-6-oxaspiro[4.5]decan-4-one
CID 134964196
(5S)-9,9-dimethyl-6-oxaspiro[4.5]decan-4-one
CID 135054954
(1R,5S)-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octan-2-one
CID 138982899
(1R,4R,5R)-5-methyl-4-(3-oxobutyl)-1-propan-2-yl-8-oxabicyclo[3.2.1]octan-2-one
CID 138983391

Frequently Asked Questions

What is the IUPAC name of 1,6,6-trimethyl-8-oxabicyclo[3.2.1]octan-2-one?
The IUPAC name of 1,6,6-trimethyl-8-oxabicyclo[3.2.1]octan-2-one (CID 580361) is 1,6,6-trimethyl-8-oxabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for 1,6,6-trimethyl-8-oxabicyclo[3.2.1]octan-2-one?
The canonical SMILES for 1,6,6-trimethyl-8-oxabicyclo[3.2.1]octan-2-one is CC12CC(C)(C)C(CCC1=O)O2.
What is the InChIKey of 1,6,6-trimethyl-8-oxabicyclo[3.2.1]octan-2-one?
The InChIKey is JRMBWGJPPSEEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2)6-10(3)7(11)4-5-8(9)12-10/h8H,4-6H2,1-3H3.
What are the key properties of 1,6,6-trimethyl-8-oxabicyclo[3.2.1]octan-2-one?
1,6,6-trimethyl-8-oxabicyclo[3.2.1]octan-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-trimethyl-8-oxabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 580361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).