5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol

C9H16O2 — CID 15833771

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

About 5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol

5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol (PubChem CID 15833771) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol.

Molecular Properties

Compound Name5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol
PubChem CID15833771
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol
SMILESCC1CC2(C)CCCC1(O)O2
InChIInChI=1S/C9H16O2/c1-7-6-8(2)4-3-5-9(7,10)11-8/h7,10H,3-6H2,1-2H3
InChIKeyVLPSMMUIGTWQKK-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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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol?
The IUPAC name of 5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol (CID 15833771) is 5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol.
What is the SMILES notation for 5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol?
The canonical SMILES for 5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol is CC1CC2(C)CCCC1(O)O2.
What is the InChIKey of 5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol?
The InChIKey is VLPSMMUIGTWQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-6-8(2)4-3-5-9(7,10)11-8/h7,10H,3-6H2,1-2H3.
What are the key properties of 5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol?
5,7-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 5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol is sourced from PubChem (CID 15833771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).