9-(4-tert-butylphenoxy)-6-oxa-2-thiaspiro[4.5]decane

C18H26O2S — CID 79907628

IUPAC9-(4-tert-butylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
SMILESCC(C)(C)c1ccc(OC2CCOC3(CCSC3)C2)cc1
InChIInChI=1S/C18H26O2S/c1-17(2,3)14-4-6-15(7-5-14)20-16-8-10-19-18(12-16)9-11-21-13-18/h4-7,16H,8-13H2,1-3H3
InChIKeyABZZIXJJBCEEJM-UHFFFAOYSA-N
MW306.47 g/mol
LogP4.42
Rot. Bonds2

About 9-(4-tert-butylphenoxy)-6-oxa-2-thiaspiro[4.5]decane

9-(4-tert-butylphenoxy)-6-oxa-2-thiaspiro[4.5]decane (PubChem CID 79907628) has the molecular formula C18H26O2S and a molecular weight of 306.47 g/mol. Its IUPAC name is 9-(4-tert-butylphenoxy)-6-oxa-2-thiaspiro[4.5]decane.

Molecular Properties

Compound Name9-(4-tert-butylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
PubChem CID79907628
Molecular FormulaC18H26O2S
Molecular Weight306.47 g/mol
Exact Mass306.17
IUPAC Name9-(4-tert-butylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
SMILESCC(C)(C)c1ccc(OC2CCOC3(CCSC3)C2)cc1
InChIInChI=1S/C18H26O2S/c1-17(2,3)14-4-6-15(7-5-14)20-16-8-10-19-18(12-16)9-11-21-13-18/h4-7,16H,8-13H2,1-3H3
InChIKeyABZZIXJJBCEEJM-UHFFFAOYSA-N
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 79923057
1-[4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]propan-2-one
CID 115495256
4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzenesulfonamide
CID 79900572
9-[4-(3-chloroprop-1-ynyl)phenoxy]-6-oxa-2-thiaspiro[4.5]decane
CID 79907895
9-(2-bromo-4-methoxyphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 104707464
1-(4-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79907804
9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 79924175
9-[3-(chloromethyl)phenoxy]-6-oxa-2-thiaspiro[4.5]decane
CID 79894617
4-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79898978
3-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)aniline
CID 104831308
2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79904501
1-(4-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79912974

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butylphenoxy)-6-oxa-2-thiaspiro[4.5]decane?
The IUPAC name of 9-(4-tert-butylphenoxy)-6-oxa-2-thiaspiro[4.5]decane (CID 79907628) is 9-(4-tert-butylphenoxy)-6-oxa-2-thiaspiro[4.5]decane.
What is the SMILES notation for 9-(4-tert-butylphenoxy)-6-oxa-2-thiaspiro[4.5]decane?
The canonical SMILES for 9-(4-tert-butylphenoxy)-6-oxa-2-thiaspiro[4.5]decane is CC(C)(C)c1ccc(OC2CCOC3(CCSC3)C2)cc1.
What is the InChIKey of 9-(4-tert-butylphenoxy)-6-oxa-2-thiaspiro[4.5]decane?
The InChIKey is ABZZIXJJBCEEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2S/c1-17(2,3)14-4-6-15(7-5-14)20-16-8-10-19-18(12-16)9-11-21-13-18/h4-7,16H,8-13H2,1-3H3.
What are the key properties of 9-(4-tert-butylphenoxy)-6-oxa-2-thiaspiro[4.5]decane?
9-(4-tert-butylphenoxy)-6-oxa-2-thiaspiro[4.5]decane has a molecular weight of 306.47 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butylphenoxy)-6-oxa-2-thiaspiro[4.5]decane is sourced from PubChem (CID 79907628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).