1-methyl-8-oxabicyclo[3.2.1]octane

C8H14O — CID 12502503

IUPAC1-methyl-8-oxabicyclo[3.2.1]octane
SMILESCC12CCCC(CC1)O2
InChIInChI=1S/C8H14O/c1-8-5-2-3-7(9-8)4-6-8/h7H,2-6H2,1H3
InChIKeyLEHAWNQEZIIMJA-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.11
Rot. Bonds

About 1-methyl-8-oxabicyclo[3.2.1]octane

1-methyl-8-oxabicyclo[3.2.1]octane (PubChem CID 12502503) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-methyl-8-oxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-methyl-8-oxabicyclo[3.2.1]octane
PubChem CID12502503
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-methyl-8-oxabicyclo[3.2.1]octane
SMILESCC12CCCC(CC1)O2
InChIInChI=1S/C8H14O/c1-8-5-2-3-7(9-8)4-6-8/h7H,2-6H2,1H3
InChIKeyLEHAWNQEZIIMJA-UHFFFAOYSA-N
XLogP2.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-oxabicyclo[3.2.1]octane?
The IUPAC name of 1-methyl-8-oxabicyclo[3.2.1]octane (CID 12502503) is 1-methyl-8-oxabicyclo[3.2.1]octane.
What is the SMILES notation for 1-methyl-8-oxabicyclo[3.2.1]octane?
The canonical SMILES for 1-methyl-8-oxabicyclo[3.2.1]octane is CC12CCCC(CC1)O2.
What is the InChIKey of 1-methyl-8-oxabicyclo[3.2.1]octane?
The InChIKey is LEHAWNQEZIIMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-8-5-2-3-7(9-8)4-6-8/h7H,2-6H2,1H3.
What are the key properties of 1-methyl-8-oxabicyclo[3.2.1]octane?
1-methyl-8-oxabicyclo[3.2.1]octane has a molecular weight of 126.20 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-oxabicyclo[3.2.1]octane is sourced from PubChem (CID 12502503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).