3,10-dioxatricyclo[7.3.1.02,7]tridecane

C11H18O2 — CID 169492968

IUPAC3,10-dioxatricyclo[7.3.1.02,7]tridecane
SMILESC1COC2C(C1)CC1CC2CCO1
InChIInChI=1S/C11H18O2/c1-2-8-6-10-7-9(3-5-12-10)11(8)13-4-1/h8-11H,1-7H2
InChIKeyRMANUACFDZGNKI-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.98
Rot. Bonds

About 3,10-dioxatricyclo[7.3.1.02,7]tridecane

3,10-dioxatricyclo[7.3.1.02,7]tridecane (PubChem CID 169492968) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3,10-dioxatricyclo[7.3.1.02,7]tridecane.

Molecular Properties

Compound Name3,10-dioxatricyclo[7.3.1.02,7]tridecane
PubChem CID169492968
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3,10-dioxatricyclo[7.3.1.02,7]tridecane
SMILESC1COC2C(C1)CC1CC2CCO1
InChIInChI=1S/C11H18O2/c1-2-8-6-10-7-9(3-5-12-10)11(8)13-4-1/h8-11H,1-7H2
InChIKeyRMANUACFDZGNKI-UHFFFAOYSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.98
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 3,10-dioxatricyclo[7.3.1.02,7]tridecane?
The IUPAC name of 3,10-dioxatricyclo[7.3.1.02,7]tridecane (CID 169492968) is 3,10-dioxatricyclo[7.3.1.02,7]tridecane.
What is the SMILES notation for 3,10-dioxatricyclo[7.3.1.02,7]tridecane?
The canonical SMILES for 3,10-dioxatricyclo[7.3.1.02,7]tridecane is C1COC2C(C1)CC1CC2CCO1.
What is the InChIKey of 3,10-dioxatricyclo[7.3.1.02,7]tridecane?
The InChIKey is RMANUACFDZGNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-8-6-10-7-9(3-5-12-10)11(8)13-4-1/h8-11H,1-7H2.
What are the key properties of 3,10-dioxatricyclo[7.3.1.02,7]tridecane?
3,10-dioxatricyclo[7.3.1.02,7]tridecane has a molecular weight of 182.26 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dioxatricyclo[7.3.1.02,7]tridecane is sourced from PubChem (CID 169492968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).