2,6-dioxatricyclo[3.3.2.03,7]decane

C8H12O2 — CID 12591241

IUPAC2,6-dioxatricyclo[3.3.2.03,7]decane
SMILESC1CC2CC3OC1CC3O2
InChIInChI=1S/C8H12O2/c1-2-6-4-8-7(10-6)3-5(1)9-8/h5-8H,1-4H2
InChIKeyINHKATMTFKTMPN-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.10
Rot. Bonds

About 2,6-dioxatricyclo[3.3.2.03,7]decane

2,6-dioxatricyclo[3.3.2.03,7]decane (PubChem CID 12591241) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2,6-dioxatricyclo[3.3.2.03,7]decane.

Molecular Properties

Compound Name2,6-dioxatricyclo[3.3.2.03,7]decane
PubChem CID12591241
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2,6-dioxatricyclo[3.3.2.03,7]decane
SMILESC1CC2CC3OC1CC3O2
InChIInChI=1S/C8H12O2/c1-2-6-4-8-7(10-6)3-5(1)9-8/h5-8H,1-4H2
InChIKeyINHKATMTFKTMPN-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,6-dioxatricyclo[3.3.2.03,7]decane?
The IUPAC name of 2,6-dioxatricyclo[3.3.2.03,7]decane (CID 12591241) is 2,6-dioxatricyclo[3.3.2.03,7]decane.
What is the SMILES notation for 2,6-dioxatricyclo[3.3.2.03,7]decane?
The canonical SMILES for 2,6-dioxatricyclo[3.3.2.03,7]decane is C1CC2CC3OC1CC3O2.
What is the InChIKey of 2,6-dioxatricyclo[3.3.2.03,7]decane?
The InChIKey is INHKATMTFKTMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-6-4-8-7(10-6)3-5(1)9-8/h5-8H,1-4H2.
What are the key properties of 2,6-dioxatricyclo[3.3.2.03,7]decane?
2,6-dioxatricyclo[3.3.2.03,7]decane 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 2,6-dioxatricyclo[3.3.2.03,7]decane is sourced from PubChem (CID 12591241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).