3,5-diethylspiro[4,10-dioxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one

C15H22O4 — CID 21351519

IUPAC3,5-diethylspiro[4,10-dioxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one
SMILESCCC1OC(CC)C2C1C1CC3(CCOC3=O)C2O1
InChIInChI=1S/C15H22O4/c1-3-8-11-10-7-15(5-6-17-14(15)16)13(19-10)12(11)9(4-2)18-8/h8-13H,3-7H2,1-2H3
InChIKeyOATFKDJURFMFDS-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.91
Rot. Bonds2

About 3,5-diethylspiro[4,10-dioxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one

3,5-diethylspiro[4,10-dioxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one (PubChem CID 21351519) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3,5-diethylspiro[4,10-dioxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one.

Molecular Properties

Compound Name3,5-diethylspiro[4,10-dioxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one
PubChem CID21351519
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name3,5-diethylspiro[4,10-dioxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one
SMILESCCC1OC(CC)C2C1C1CC3(CCOC3=O)C2O1
InChIInChI=1S/C15H22O4/c1-3-8-11-10-7-15(5-6-17-14(15)16)13(19-10)12(11)9(4-2)18-8/h8-13H,3-7H2,1-2H3
InChIKeyOATFKDJURFMFDS-UHFFFAOYSA-N
XLogP1.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethylspiro[4,10-dioxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one?
The IUPAC name of 3,5-diethylspiro[4,10-dioxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one (CID 21351519) is 3,5-diethylspiro[4,10-dioxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one.
What is the SMILES notation for 3,5-diethylspiro[4,10-dioxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one?
The canonical SMILES for 3,5-diethylspiro[4,10-dioxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one is CCC1OC(CC)C2C1C1CC3(CCOC3=O)C2O1.
What is the InChIKey of 3,5-diethylspiro[4,10-dioxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one?
The InChIKey is OATFKDJURFMFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-3-8-11-10-7-15(5-6-17-14(15)16)13(19-10)12(11)9(4-2)18-8/h8-13H,3-7H2,1-2H3.
What are the key properties of 3,5-diethylspiro[4,10-dioxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one?
3,5-diethylspiro[4,10-dioxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one has a molecular weight of 266.34 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethylspiro[4,10-dioxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one is sourced from PubChem (CID 21351519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).