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

C11H20O2 — CID 15833773

IUPAC6-ethyl-5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol
SMILESCCC1C(C)C2(O)CCCC1(C)O2
InChIInChI=1S/C11H20O2/c1-4-9-8(2)11(12)7-5-6-10(9,3)13-11/h8-9,12H,4-7H2,1-3H3
InChIKeyRLUZHOFHGDRBQX-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.31
Rot. Bonds1

About 6-ethyl-5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol

6-ethyl-5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol (PubChem CID 15833773) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 6-ethyl-5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol.

Molecular Properties

Compound Name6-ethyl-5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol
PubChem CID15833773
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name6-ethyl-5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol
SMILESCCC1C(C)C2(O)CCCC1(C)O2
InChIInChI=1S/C11H20O2/c1-4-9-8(2)11(12)7-5-6-10(9,3)13-11/h8-9,12H,4-7H2,1-3H3
InChIKeyRLUZHOFHGDRBQX-UHFFFAOYSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol?
The IUPAC name of 6-ethyl-5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol (CID 15833773) is 6-ethyl-5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol.
What is the SMILES notation for 6-ethyl-5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol?
The canonical SMILES for 6-ethyl-5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol is CCC1C(C)C2(O)CCCC1(C)O2.
What is the InChIKey of 6-ethyl-5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol?
The InChIKey is RLUZHOFHGDRBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-9-8(2)11(12)7-5-6-10(9,3)13-11/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 6-ethyl-5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol?
6-ethyl-5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5,7-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol is sourced from PubChem (CID 15833773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).