9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane

C16H22O2S — CID 79924175

IUPAC9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
SMILESCc1ccc(OC2CCOC3(CCSC3)C2)c(C)c1
InChIInChI=1S/C16H22O2S/c1-12-3-4-15(13(2)9-12)18-14-5-7-17-16(10-14)6-8-19-11-16/h3-4,9,14H,5-8,10-11H2,1-2H3
InChIKeyDXBCGJZNIVLBHG-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.74
Rot. Bonds2

About 9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane

9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane (PubChem CID 79924175) has the molecular formula C16H22O2S and a molecular weight of 278.42 g/mol. Its IUPAC name is 9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
PubChem CID79924175
Molecular FormulaC16H22O2S
Molecular Weight278.42 g/mol
Exact Mass278.13
IUPAC Name9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
SMILESCc1ccc(OC2CCOC3(CCSC3)C2)c(C)c1
InChIInChI=1S/C16H22O2S/c1-12-3-4-15(13(2)9-12)18-14-5-7-17-16(10-14)6-8-19-11-16/h3-4,9,14H,5-8,10-11H2,1-2H3
InChIKeyDXBCGJZNIVLBHG-UHFFFAOYSA-N
XLogP3.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane with MolForge

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Related Compounds

4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane
CID 81005535
9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 79923057
4-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79898978
9-(2-bromo-4-methoxyphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 104707464
9-(4-tert-butylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 79907628
2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79904501
[5-chloro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]methanol
CID 79893844
(2,4-dimethylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 115788211
4-(4-bromo-2-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79906041
1-[4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]propan-2-one
CID 115495256
3-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)pyridine-4-carboxylic acid
CID 81445379
(2-methoxy-5-methylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 115823502

Frequently Asked Questions

What is the IUPAC name of 9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane?
The IUPAC name of 9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane (CID 79924175) is 9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane.
What is the SMILES notation for 9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane?
The canonical SMILES for 9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane is Cc1ccc(OC2CCOC3(CCSC3)C2)c(C)c1.
What is the InChIKey of 9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane?
The InChIKey is DXBCGJZNIVLBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2S/c1-12-3-4-15(13(2)9-12)18-14-5-7-17-16(10-14)6-8-19-11-16/h3-4,9,14H,5-8,10-11H2,1-2H3.
What are the key properties of 9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane?
9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane has a molecular weight of 278.42 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane is sourced from PubChem (CID 79924175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).