3',7-dimethylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one

C16H24O3 — CID 559197

IUPAC3',7-dimethylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one
SMILESCC1CCCC2(C1)OC(=O)C1C3CCCC3C1(C)O2
InChIInChI=1S/C16H24O3/c1-10-5-4-8-16(9-10)18-14(17)13-11-6-3-7-12(11)15(13,2)19-16/h10-13H,3-9H2,1-2H3
InChIKeyUBICNKKUSLOXCQ-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.27
Rot. Bonds

About 3',7-dimethylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one

3',7-dimethylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one (PubChem CID 559197) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 3',7-dimethylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one.

Molecular Properties

Compound Name3',7-dimethylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one
PubChem CID559197
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name3',7-dimethylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one
SMILESCC1CCCC2(C1)OC(=O)C1C3CCCC3C1(C)O2
InChIInChI=1S/C16H24O3/c1-10-5-4-8-16(9-10)18-14(17)13-11-6-3-7-12(11)15(13,2)19-16/h10-13H,3-9H2,1-2H3
InChIKeyUBICNKKUSLOXCQ-UHFFFAOYSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3',7-dimethylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3',7-dimethylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one?
The IUPAC name of 3',7-dimethylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one (CID 559197) is 3',7-dimethylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one.
What is the SMILES notation for 3',7-dimethylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one?
The canonical SMILES for 3',7-dimethylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one is CC1CCCC2(C1)OC(=O)C1C3CCCC3C1(C)O2.
What is the InChIKey of 3',7-dimethylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one?
The InChIKey is UBICNKKUSLOXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-10-5-4-8-16(9-10)18-14(17)13-11-6-3-7-12(11)15(13,2)19-16/h10-13H,3-9H2,1-2H3.
What are the key properties of 3',7-dimethylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one?
3',7-dimethylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one has a molecular weight of 264.36 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3',7-dimethylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one is sourced from PubChem (CID 559197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).