1,5-dimethyl-8-oxabicyclo[3.2.1]octane

C9H16O — CID 85185491

IUPAC1,5-dimethyl-8-oxabicyclo[3.2.1]octane
SMILESCC12CCCC(C)(CC1)O2
InChIInChI=1S/C9H16O/c1-8-4-3-5-9(2,10-8)7-6-8/h3-7H2,1-2H3
InChIKeyCAJSELUCMKYSBM-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.50
Rot. Bonds

About 1,5-dimethyl-8-oxabicyclo[3.2.1]octane

1,5-dimethyl-8-oxabicyclo[3.2.1]octane (PubChem CID 85185491) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1,5-dimethyl-8-oxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1,5-dimethyl-8-oxabicyclo[3.2.1]octane
PubChem CID85185491
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1,5-dimethyl-8-oxabicyclo[3.2.1]octane
SMILESCC12CCCC(C)(CC1)O2
InChIInChI=1S/C9H16O/c1-8-4-3-5-9(2,10-8)7-6-8/h3-7H2,1-2H3
InChIKeyCAJSELUCMKYSBM-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-8-oxabicyclo[3.2.1]octane?
The IUPAC name of 1,5-dimethyl-8-oxabicyclo[3.2.1]octane (CID 85185491) is 1,5-dimethyl-8-oxabicyclo[3.2.1]octane.
What is the SMILES notation for 1,5-dimethyl-8-oxabicyclo[3.2.1]octane?
The canonical SMILES for 1,5-dimethyl-8-oxabicyclo[3.2.1]octane is CC12CCCC(C)(CC1)O2.
What is the InChIKey of 1,5-dimethyl-8-oxabicyclo[3.2.1]octane?
The InChIKey is CAJSELUCMKYSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-8-4-3-5-9(2,10-8)7-6-8/h3-7H2,1-2H3.
What are the key properties of 1,5-dimethyl-8-oxabicyclo[3.2.1]octane?
1,5-dimethyl-8-oxabicyclo[3.2.1]octane has a molecular weight of 140.23 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-8-oxabicyclo[3.2.1]octane is sourced from PubChem (CID 85185491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).