4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane

C17H24O2S — CID 81005535

IUPAC4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane
SMILESCc1ccc(C)c(OC2CCOC3(CCSCC3)C2)c1
InChIInChI=1S/C17H24O2S/c1-13-3-4-14(2)16(11-13)19-15-5-8-18-17(12-15)6-9-20-10-7-17/h3-4,11,15H,5-10,12H2,1-2H3
InChIKeyDMKAFEDZZCVUIU-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.13
Rot. Bonds2

About 4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane

4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane (PubChem CID 81005535) has the molecular formula C17H24O2S and a molecular weight of 292.44 g/mol. Its IUPAC name is 4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane
PubChem CID81005535
Molecular FormulaC17H24O2S
Molecular Weight292.44 g/mol
Exact Mass292.15
IUPAC Name4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane
SMILESCc1ccc(C)c(OC2CCOC3(CCSCC3)C2)c1
InChIInChI=1S/C17H24O2S/c1-13-3-4-14(2)16(11-13)19-15-5-8-18-17(12-15)6-9-20-10-7-17/h3-4,11,15H,5-10,12H2,1-2H3
InChIKeyDMKAFEDZZCVUIU-UHFFFAOYSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 79924175
4-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79898978
9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 79923057
8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 79923323
8-(5-fluoro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 102990531
9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane
CID 107284316
9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane
CID 79923322
N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 79899824
9-(2-bromo-4-methoxyphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 104707464
[3-fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 107665408
[5-bromo-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 79899567
[5-chloro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 79899571

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane?
The IUPAC name of 4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane (CID 81005535) is 4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane.
What is the SMILES notation for 4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane?
The canonical SMILES for 4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane is Cc1ccc(C)c(OC2CCOC3(CCSCC3)C2)c1.
What is the InChIKey of 4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane?
The InChIKey is DMKAFEDZZCVUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2S/c1-13-3-4-14(2)16(11-13)19-15-5-8-18-17(12-15)6-9-20-10-7-17/h3-4,11,15H,5-10,12H2,1-2H3.
What are the key properties of 4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane?
4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane has a molecular weight of 292.44 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane is sourced from PubChem (CID 81005535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).