2,3-dimethoxy-5,6-dimethyl-7-oxabicyclo[2.2.1]heptane

C10H18O3 — CID 59908393

IUPAC2,3-dimethoxy-5,6-dimethyl-7-oxabicyclo[2.2.1]heptane
SMILESCOC1C2OC(C(C)C2C)C1OC
InChIInChI=1S/C10H18O3/c1-5-6(2)8-10(12-4)9(11-3)7(5)13-8/h5-10H,1-4H3
InChIKeyMTBADWYGPKUFFQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.07
Rot. Bonds2

About 2,3-dimethoxy-5,6-dimethyl-7-oxabicyclo[2.2.1]heptane

2,3-dimethoxy-5,6-dimethyl-7-oxabicyclo[2.2.1]heptane (PubChem CID 59908393) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2,3-dimethoxy-5,6-dimethyl-7-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,3-dimethoxy-5,6-dimethyl-7-oxabicyclo[2.2.1]heptane
PubChem CID59908393
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2,3-dimethoxy-5,6-dimethyl-7-oxabicyclo[2.2.1]heptane
SMILESCOC1C2OC(C(C)C2C)C1OC
InChIInChI=1S/C10H18O3/c1-5-6(2)8-10(12-4)9(11-3)7(5)13-8/h5-10H,1-4H3
InChIKeyMTBADWYGPKUFFQ-UHFFFAOYSA-N
XLogP1.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5,6-dimethyl-7-oxabicyclo[2.2.1]heptane?
The IUPAC name of 2,3-dimethoxy-5,6-dimethyl-7-oxabicyclo[2.2.1]heptane (CID 59908393) is 2,3-dimethoxy-5,6-dimethyl-7-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for 2,3-dimethoxy-5,6-dimethyl-7-oxabicyclo[2.2.1]heptane?
The canonical SMILES for 2,3-dimethoxy-5,6-dimethyl-7-oxabicyclo[2.2.1]heptane is COC1C2OC(C(C)C2C)C1OC.
What is the InChIKey of 2,3-dimethoxy-5,6-dimethyl-7-oxabicyclo[2.2.1]heptane?
The InChIKey is MTBADWYGPKUFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-6(2)8-10(12-4)9(11-3)7(5)13-8/h5-10H,1-4H3.
What are the key properties of 2,3-dimethoxy-5,6-dimethyl-7-oxabicyclo[2.2.1]heptane?
2,3-dimethoxy-5,6-dimethyl-7-oxabicyclo[2.2.1]heptane has a molecular weight of 186.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5,6-dimethyl-7-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 59908393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).