9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane

C16H22O3 — CID 103432370

IUPAC9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane
SMILESCc1cccc(OC2CCOC3(CCOC3)C2)c1C
InChIInChI=1S/C16H22O3/c1-12-4-3-5-15(13(12)2)19-14-6-8-18-16(10-14)7-9-17-11-16/h3-5,14H,6-11H2,1-2H3
InChIKeyJIFKPVMEUOAQQC-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.02
Rot. Bonds2

About 9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane

9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane (PubChem CID 103432370) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane
PubChem CID103432370
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane
SMILESCc1cccc(OC2CCOC3(CCOC3)C2)c1C
InChIInChI=1S/C16H22O3/c1-12-4-3-5-15(13(12)2)19-14-6-8-18-16(10-14)7-9-17-11-16/h3-5,14H,6-11H2,1-2H3
InChIKeyJIFKPVMEUOAQQC-UHFFFAOYSA-N
XLogP3.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane
CID 103432365
1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]-N-methylmethanamine
CID 115952199
9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 79922926
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-6-fluorobenzenecarbothioamide
CID 79901370
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine
CID 115957697
3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-6-methylpyridin-2-amine
CID 79905053
1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine
CID 79908209
(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol
CID 79899366
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline
CID 114415938
9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 107171386
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-N'-hydroxybenzenecarboximidamide
CID 79902453
4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane
CID 79905383

Frequently Asked Questions

What is the IUPAC name of 9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane?
The IUPAC name of 9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane (CID 103432370) is 9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane.
What is the SMILES notation for 9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane?
The canonical SMILES for 9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane is Cc1cccc(OC2CCOC3(CCOC3)C2)c1C.
What is the InChIKey of 9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane?
The InChIKey is JIFKPVMEUOAQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-12-4-3-5-15(13(12)2)19-14-6-8-18-16(10-14)7-9-17-11-16/h3-5,14H,6-11H2,1-2H3.
What are the key properties of 9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane?
9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane has a molecular weight of 262.35 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane is sourced from PubChem (CID 103432370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).