4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane

C18H26O2 — CID 103432365

IUPAC4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane
SMILESCc1cccc(OC2CCOC3(CCCCC3)C2)c1C
InChIInChI=1S/C18H26O2/c1-14-7-6-8-17(15(14)2)20-16-9-12-19-18(13-16)10-4-3-5-11-18/h6-8,16H,3-5,9-13H2,1-2H3
InChIKeyMRLMSBURSCGGSL-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.56
Rot. Bonds2

About 4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane

4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane (PubChem CID 103432365) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane
PubChem CID103432365
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane
SMILESCc1cccc(OC2CCOC3(CCCCC3)C2)c1C
InChIInChI=1S/C18H26O2/c1-14-7-6-8-17(15(14)2)20-16-9-12-19-18(13-16)10-4-3-5-11-18/h6-8,16H,3-5,9-13H2,1-2H3
InChIKeyMRLMSBURSCGGSL-UHFFFAOYSA-N
XLogP4.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 103432370
4-(4-bromo-2-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79906041
9-(2-bromophenoxy)-6-oxaspiro[4.5]decane
CID 79905452
8-(5-fluoro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 102990531
9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane
CID 107284316
4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79923185
5-(5-oxaspiro[3.5]nonan-8-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79900755
4-[2-(chloromethyl)-4-methylphenoxy]-1-oxaspiro[5.5]undecane
CID 79900246
2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol
CID 107713039
8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 79923323
3-(6-oxaspiro[4.5]decan-9-yloxy)pyridin-2-amine
CID 79904908
9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane
CID 79923322

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane?
The IUPAC name of 4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane (CID 103432365) is 4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane.
What is the SMILES notation for 4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane?
The canonical SMILES for 4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane is Cc1cccc(OC2CCOC3(CCCCC3)C2)c1C.
What is the InChIKey of 4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane?
The InChIKey is MRLMSBURSCGGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-14-7-6-8-17(15(14)2)20-16-9-12-19-18(13-16)10-4-3-5-11-18/h6-8,16H,3-5,9-13H2,1-2H3.
What are the key properties of 4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane?
4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane has a molecular weight of 274.40 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane is sourced from PubChem (CID 103432365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).