5,6-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol

C9H16O2 — CID 15833772

IUPAC5,6-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol
SMILESCC1CC2(O)CCCC1(C)O2
InChIInChI=1S/C9H16O2/c1-7-6-9(10)5-3-4-8(7,2)11-9/h7,10H,3-6H2,1-2H3
InChIKeyOCTZJGCSOICDHJ-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.67
Rot. Bonds

About 5,6-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol

5,6-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol (PubChem CID 15833772) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 5,6-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol.

Molecular Properties

Compound Name5,6-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol
PubChem CID15833772
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name5,6-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol
SMILESCC1CC2(O)CCCC1(C)O2
InChIInChI=1S/C9H16O2/c1-7-6-9(10)5-3-4-8(7,2)11-9/h7,10H,3-6H2,1-2H3
InChIKeyOCTZJGCSOICDHJ-UHFFFAOYSA-N
XLogP1.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,4S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol
CID 134916437
(1S,5R,6R,7R)-5,7-dimethyl-6-trimethylsilyl-8-oxabicyclo[3.2.1]octan-1-ol
CID 139121325
(1S,2S,3R,6R,7R)-3,7-dimethyl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol
CID 139255195
7,10-Epoxy-10-hydroxysalvianane
CID 91747154
10-Hydroxy-7,10-epoxysalvialane
CID 91750950
(4S,5S)-6,6-diethyl-2,3,4,5-tetramethyloxan-2-ol
CID 59226823
3-[(2S,5S)-5-hydroxy-1-methyl-8-oxabicyclo[3.2.1]octan-2-yl]propanenitrile
CID 70554759
(1S,2S,4R,5R)-1,2,3,4,5-pentamethyl-8-oxabicyclo[3.2.1]octan-3-ol
CID 89712753
(3R,4S,5S)-6,6-diethyl-2,3,4,5-tetramethyloxan-2-ol
CID 117933059
2,2,3-Trimethyl-8-oxabicyclo[3.2.1]octan-1-ol
CID 153835859
6-Ethyl-2-methyl-6-propan-2-yloxan-2-ol
CID 164015065
3-Methyl-1-[(5-methyl-8-oxabicyclo[3.2.1]octan-1-yl)oxy]cyclohexan-1-ol
CID 164106083

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol?
The IUPAC name of 5,6-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol (CID 15833772) is 5,6-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol.
What is the SMILES notation for 5,6-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol?
The canonical SMILES for 5,6-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol is CC1CC2(O)CCCC1(C)O2.
What is the InChIKey of 5,6-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol?
The InChIKey is OCTZJGCSOICDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-6-9(10)5-3-4-8(7,2)11-9/h7,10H,3-6H2,1-2H3.
What are the key properties of 5,6-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol?
5,6-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol is sourced from PubChem (CID 15833772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).