3,5-dioxatricyclo[5.2.1.04,8]decan-10-one

C8H10O3 — CID 118520873

IUPAC3,5-dioxatricyclo[5.2.1.04,8]decan-10-one
SMILESO=C1C2COC3OCC1C3C2
InChIInChI=1S/C8H10O3/c9-7-4-1-5-6(7)3-11-8(5)10-2-4/h4-6,8H,1-3H2
InChIKeyIPUDYIWURNLLIV-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.19
Rot. Bonds

About 3,5-dioxatricyclo[5.2.1.04,8]decan-10-one

3,5-dioxatricyclo[5.2.1.04,8]decan-10-one (PubChem CID 118520873) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3,5-dioxatricyclo[5.2.1.04,8]decan-10-one.

Molecular Properties

Compound Name3,5-dioxatricyclo[5.2.1.04,8]decan-10-one
PubChem CID118520873
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3,5-dioxatricyclo[5.2.1.04,8]decan-10-one
SMILESO=C1C2COC3OCC1C3C2
InChIInChI=1S/C8H10O3/c9-7-4-1-5-6(7)3-11-8(5)10-2-4/h4-6,8H,1-3H2
InChIKeyIPUDYIWURNLLIV-UHFFFAOYSA-N
XLogP0.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dioxatricyclo[5.2.1.04,8]decan-10-one?
The IUPAC name of 3,5-dioxatricyclo[5.2.1.04,8]decan-10-one (CID 118520873) is 3,5-dioxatricyclo[5.2.1.04,8]decan-10-one.
What is the SMILES notation for 3,5-dioxatricyclo[5.2.1.04,8]decan-10-one?
The canonical SMILES for 3,5-dioxatricyclo[5.2.1.04,8]decan-10-one is O=C1C2COC3OCC1C3C2.
What is the InChIKey of 3,5-dioxatricyclo[5.2.1.04,8]decan-10-one?
The InChIKey is IPUDYIWURNLLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-7-4-1-5-6(7)3-11-8(5)10-2-4/h4-6,8H,1-3H2.
What are the key properties of 3,5-dioxatricyclo[5.2.1.04,8]decan-10-one?
3,5-dioxatricyclo[5.2.1.04,8]decan-10-one has a molecular weight of 154.16 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dioxatricyclo[5.2.1.04,8]decan-10-one is sourced from PubChem (CID 118520873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).