8,10-diethylspiro[4-oxatricyclo[5.3.0.02,6]decane-5,1'-cyclopentane]-3-one

C17H26O2 — CID 58820849

IUPAC8,10-diethylspiro[4-oxatricyclo[5.3.0.02,6]decane-5,1'-cyclopentane]-3-one
SMILESCCC1CC(CC)C2C1C1C(=O)OC3(CCCC3)C12
InChIInChI=1S/C17H26O2/c1-3-10-9-11(4-2)13-12(10)14-15(13)17(19-16(14)18)7-5-6-8-17/h10-15H,3-9H2,1-2H3
InChIKeyZSAQXECQSWNZEB-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.79
Rot. Bonds2

About 8,10-diethylspiro[4-oxatricyclo[5.3.0.02,6]decane-5,1'-cyclopentane]-3-one

8,10-diethylspiro[4-oxatricyclo[5.3.0.02,6]decane-5,1'-cyclopentane]-3-one (PubChem CID 58820849) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 8,10-diethylspiro[4-oxatricyclo[5.3.0.02,6]decane-5,1'-cyclopentane]-3-one.

Molecular Properties

Compound Name8,10-diethylspiro[4-oxatricyclo[5.3.0.02,6]decane-5,1'-cyclopentane]-3-one
PubChem CID58820849
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name8,10-diethylspiro[4-oxatricyclo[5.3.0.02,6]decane-5,1'-cyclopentane]-3-one
SMILESCCC1CC(CC)C2C1C1C(=O)OC3(CCCC3)C12
InChIInChI=1S/C17H26O2/c1-3-10-9-11(4-2)13-12(10)14-15(13)17(19-16(14)18)7-5-6-8-17/h10-15H,3-9H2,1-2H3
InChIKeyZSAQXECQSWNZEB-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,10-diethylspiro[4-oxatricyclo[5.3.0.02,6]decane-5,1'-cyclopentane]-3-one?
The IUPAC name of 8,10-diethylspiro[4-oxatricyclo[5.3.0.02,6]decane-5,1'-cyclopentane]-3-one (CID 58820849) is 8,10-diethylspiro[4-oxatricyclo[5.3.0.02,6]decane-5,1'-cyclopentane]-3-one.
What is the SMILES notation for 8,10-diethylspiro[4-oxatricyclo[5.3.0.02,6]decane-5,1'-cyclopentane]-3-one?
The canonical SMILES for 8,10-diethylspiro[4-oxatricyclo[5.3.0.02,6]decane-5,1'-cyclopentane]-3-one is CCC1CC(CC)C2C1C1C(=O)OC3(CCCC3)C12.
What is the InChIKey of 8,10-diethylspiro[4-oxatricyclo[5.3.0.02,6]decane-5,1'-cyclopentane]-3-one?
The InChIKey is ZSAQXECQSWNZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-3-10-9-11(4-2)13-12(10)14-15(13)17(19-16(14)18)7-5-6-8-17/h10-15H,3-9H2,1-2H3.
What are the key properties of 8,10-diethylspiro[4-oxatricyclo[5.3.0.02,6]decane-5,1'-cyclopentane]-3-one?
8,10-diethylspiro[4-oxatricyclo[5.3.0.02,6]decane-5,1'-cyclopentane]-3-one has a molecular weight of 262.39 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-diethylspiro[4-oxatricyclo[5.3.0.02,6]decane-5,1'-cyclopentane]-3-one is sourced from PubChem (CID 58820849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).