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

C16H24O3 — CID 21351521

IUPAC3,5-diethylspiro[4-oxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one
SMILESCCC1OC(CC)C2C1C1CC2C2(CCOC2=O)C1
InChIInChI=1S/C16H24O3/c1-3-11-13-9-7-10(14(13)12(4-2)19-11)16(8-9)5-6-18-15(16)17/h9-14H,3-8H2,1-2H3
InChIKeyAOYBXFWFEXAMAQ-UHFFFAOYSA-N
MW264.36 g/mol
LogP2.78
Rot. Bonds2

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

3,5-diethylspiro[4-oxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one (PubChem CID 21351521) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 3,5-diethylspiro[4-oxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one.

Molecular Properties

Compound Name3,5-diethylspiro[4-oxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one
PubChem CID21351521
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name3,5-diethylspiro[4-oxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one
SMILESCCC1OC(CC)C2C1C1CC2C2(CCOC2=O)C1
InChIInChI=1S/C16H24O3/c1-3-11-13-9-7-10(14(13)12(4-2)19-11)16(8-9)5-6-18-15(16)17/h9-14H,3-8H2,1-2H3
InChIKeyAOYBXFWFEXAMAQ-UHFFFAOYSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethylspiro[4-oxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one?
The IUPAC name of 3,5-diethylspiro[4-oxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one (CID 21351521) is 3,5-diethylspiro[4-oxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one.
What is the SMILES notation for 3,5-diethylspiro[4-oxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one?
The canonical SMILES for 3,5-diethylspiro[4-oxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one is CCC1OC(CC)C2C1C1CC2C2(CCOC2=O)C1.
What is the InChIKey of 3,5-diethylspiro[4-oxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one?
The InChIKey is AOYBXFWFEXAMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-11-13-9-7-10(14(13)12(4-2)19-11)16(8-9)5-6-18-15(16)17/h9-14H,3-8H2,1-2H3.
What are the key properties of 3,5-diethylspiro[4-oxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one?
3,5-diethylspiro[4-oxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one has a molecular weight of 264.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethylspiro[4-oxatricyclo[5.2.1.02,6]decane-8,3'-oxolane]-2'-one is sourced from PubChem (CID 21351521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).