1-methyl-2,6-dioxatricyclo[3.3.1.03,7]nonane

C8H12O2 — CID 12669312

IUPAC1-methyl-2,6-dioxatricyclo[3.3.1.03,7]nonane
SMILESCC12CC3CC(O1)C(C2)O3
InChIInChI=1S/C8H12O2/c1-8-3-5-2-6(10-8)7(4-8)9-5/h5-7H,2-4H2,1H3
InChIKeyCLBWQSWKXDXTKQ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.10
Rot. Bonds

About 1-methyl-2,6-dioxatricyclo[3.3.1.03,7]nonane

1-methyl-2,6-dioxatricyclo[3.3.1.03,7]nonane (PubChem CID 12669312) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-methyl-2,6-dioxatricyclo[3.3.1.03,7]nonane.

Molecular Properties

Compound Name1-methyl-2,6-dioxatricyclo[3.3.1.03,7]nonane
PubChem CID12669312
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1-methyl-2,6-dioxatricyclo[3.3.1.03,7]nonane
SMILESCC12CC3CC(O1)C(C2)O3
InChIInChI=1S/C8H12O2/c1-8-3-5-2-6(10-8)7(4-8)9-5/h5-7H,2-4H2,1H3
InChIKeyCLBWQSWKXDXTKQ-UHFFFAOYSA-N
XLogP1.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,6-dioxatricyclo[3.3.1.03,7]nonane?
The IUPAC name of 1-methyl-2,6-dioxatricyclo[3.3.1.03,7]nonane (CID 12669312) is 1-methyl-2,6-dioxatricyclo[3.3.1.03,7]nonane.
What is the SMILES notation for 1-methyl-2,6-dioxatricyclo[3.3.1.03,7]nonane?
The canonical SMILES for 1-methyl-2,6-dioxatricyclo[3.3.1.03,7]nonane is CC12CC3CC(O1)C(C2)O3.
What is the InChIKey of 1-methyl-2,6-dioxatricyclo[3.3.1.03,7]nonane?
The InChIKey is CLBWQSWKXDXTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-8-3-5-2-6(10-8)7(4-8)9-5/h5-7H,2-4H2,1H3.
What are the key properties of 1-methyl-2,6-dioxatricyclo[3.3.1.03,7]nonane?
1-methyl-2,6-dioxatricyclo[3.3.1.03,7]nonane has a molecular weight of 140.18 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,6-dioxatricyclo[3.3.1.03,7]nonane is sourced from PubChem (CID 12669312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).