2,4,10-trioxatricyclo[3.3.1.13,7]decane

C7H10O3 — CID 9239

IUPAC2,4,10-trioxatricyclo[3.3.1.13,7]decane
SMILESC1C2CC3CC1OC(O2)O3
InChIInChI=1S/C7H10O3/c1-4-2-6-3-5(1)9-7(8-4)10-6/h4-7H,1-3H2
InChIKeyVUIDKQHXAUDXKD-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.64
Rot. Bonds

About 2,4,10-trioxatricyclo[3.3.1.13,7]decane

2,4,10-trioxatricyclo[3.3.1.13,7]decane (PubChem CID 9239) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2,4,10-trioxatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name2,4,10-trioxatricyclo[3.3.1.13,7]decane
PubChem CID9239
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2,4,10-trioxatricyclo[3.3.1.13,7]decane
SMILESC1C2CC3CC1OC(O2)O3
InChIInChI=1S/C7H10O3/c1-4-2-6-3-5(1)9-7(8-4)10-6/h4-7H,1-3H2
InChIKeyVUIDKQHXAUDXKD-UHFFFAOYSA-N
XLogP0.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,10-trioxatricyclo[3.3.1.13,7]decane?
The IUPAC name of 2,4,10-trioxatricyclo[3.3.1.13,7]decane (CID 9239) is 2,4,10-trioxatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 2,4,10-trioxatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 2,4,10-trioxatricyclo[3.3.1.13,7]decane is C1C2CC3CC1OC(O2)O3.
What is the InChIKey of 2,4,10-trioxatricyclo[3.3.1.13,7]decane?
The InChIKey is VUIDKQHXAUDXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-2-6-3-5(1)9-7(8-4)10-6/h4-7H,1-3H2.
What are the key properties of 2,4,10-trioxatricyclo[3.3.1.13,7]decane?
2,4,10-trioxatricyclo[3.3.1.13,7]decane has a molecular weight of 142.15 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,10-trioxatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 9239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).