7,8-ditert-butyl-6λ4-thiaspiro[3.4]oct-7-ene 6-oxide

C15H26OS — CID 176868391

IUPAC7,8-ditert-butyl-6λ4-thiaspiro[3.4]oct-7-ene 6-oxide
SMILESCC(C)(C)C1=C(C(C)(C)C)C2(CCC2)CS1=O
InChIInChI=1S/C15H26OS/c1-13(2,3)11-12(14(4,5)6)17(16)10-15(11)8-7-9-15/h7-10H2,1-6H3
InChIKeyYILKLIHAGQMTAU-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.27
Rot. Bonds

About 7,8-ditert-butyl-6λ4-thiaspiro[3.4]oct-7-ene 6-oxide

7,8-ditert-butyl-6λ4-thiaspiro[3.4]oct-7-ene 6-oxide (PubChem CID 176868391) has the molecular formula C15H26OS and a molecular weight of 254.44 g/mol. Its IUPAC name is 7,8-ditert-butyl-6λ4-thiaspiro[3.4]oct-7-ene 6-oxide.

Molecular Properties

Compound Name7,8-ditert-butyl-6λ4-thiaspiro[3.4]oct-7-ene 6-oxide
PubChem CID176868391
Molecular FormulaC15H26OS
Molecular Weight254.44 g/mol
Exact Mass254.17
IUPAC Name7,8-ditert-butyl-6λ4-thiaspiro[3.4]oct-7-ene 6-oxide
SMILESCC(C)(C)C1=C(C(C)(C)C)C2(CCC2)CS1=O
InChIInChI=1S/C15H26OS/c1-13(2,3)11-12(14(4,5)6)17(16)10-15(11)8-7-9-15/h7-10H2,1-6H3
InChIKeyYILKLIHAGQMTAU-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclobutane]-2-one
CID 166091333
4,6-ditert-butylspiro[2,5-dihydropentalene-3,1'-cyclobutane]-1-one
CID 118314308
2,3-ditert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene 1-oxide
CID 176866308
7,7-dimethylspiro[3.4]octan-8-one
CID 45098314
3,4-ditert-butyl-2,5-dihydrothiophene 1-oxide
CID 58778251
2,2-di(propan-2-yl)thiolane 1-oxide
CID 176798165
1-[2-(dimethylamino)spiro[3.3]hept-2-en-3-yl]-2,2,2-trifluoroethanone
CID 71670556
2,2-dimethylthiolane 1-oxide
CID 54564152
methyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate
CID 165166779
6-methyl-6-azaspiro[3.6]decan-5-one
CID 12509314
6-tert-butyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one
CID 58051228
8-tert-butylspiro[3.4]octan-8-ol
CID 130933727

Frequently Asked Questions

What is the IUPAC name of 7,8-ditert-butyl-6λ4-thiaspiro[3.4]oct-7-ene 6-oxide?
The IUPAC name of 7,8-ditert-butyl-6λ4-thiaspiro[3.4]oct-7-ene 6-oxide (CID 176868391) is 7,8-ditert-butyl-6λ4-thiaspiro[3.4]oct-7-ene 6-oxide.
What is the SMILES notation for 7,8-ditert-butyl-6λ4-thiaspiro[3.4]oct-7-ene 6-oxide?
The canonical SMILES for 7,8-ditert-butyl-6λ4-thiaspiro[3.4]oct-7-ene 6-oxide is CC(C)(C)C1=C(C(C)(C)C)C2(CCC2)CS1=O.
What is the InChIKey of 7,8-ditert-butyl-6λ4-thiaspiro[3.4]oct-7-ene 6-oxide?
The InChIKey is YILKLIHAGQMTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OS/c1-13(2,3)11-12(14(4,5)6)17(16)10-15(11)8-7-9-15/h7-10H2,1-6H3.
What are the key properties of 7,8-ditert-butyl-6λ4-thiaspiro[3.4]oct-7-ene 6-oxide?
7,8-ditert-butyl-6λ4-thiaspiro[3.4]oct-7-ene 6-oxide has a molecular weight of 254.44 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-ditert-butyl-6λ4-thiaspiro[3.4]oct-7-ene 6-oxide is sourced from PubChem (CID 176868391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).