3,3,5,5-tetramethyl-4-(2,2,4,4-tetramethylcyclobutylidene)thiane

C17H30S — CID 2751847

IUPAC3,3,5,5-tetramethyl-4-(2,2,4,4-tetramethylcyclobutylidene)thiane
SMILESCC1(C)CSCC(C)(C)C1=C1C(C)(C)CC1(C)C
InChIInChI=1S/C17H30S/c1-14(2)9-15(3,4)12(14)13-16(5,6)10-18-11-17(13,7)8/h9-11H2,1-8H3
InChIKeyCBKGVEOKSBEETB-UHFFFAOYSA-N
MW266.49 g/mol
LogP5.54
Rot. Bonds

About 3,3,5,5-tetramethyl-4-(2,2,4,4-tetramethylcyclobutylidene)thiane

3,3,5,5-tetramethyl-4-(2,2,4,4-tetramethylcyclobutylidene)thiane (PubChem CID 2751847) has the molecular formula C17H30S and a molecular weight of 266.49 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-4-(2,2,4,4-tetramethylcyclobutylidene)thiane.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-4-(2,2,4,4-tetramethylcyclobutylidene)thiane
PubChem CID2751847
Molecular FormulaC17H30S
Molecular Weight266.49 g/mol
Exact Mass266.21
IUPAC Name3,3,5,5-tetramethyl-4-(2,2,4,4-tetramethylcyclobutylidene)thiane
SMILESCC1(C)CSCC(C)(C)C1=C1C(C)(C)CC1(C)C
InChIInChI=1S/C17H30S/c1-14(2)9-15(3,4)12(14)13-16(5,6)10-18-11-17(13,7)8/h9-11H2,1-8H3
InChIKeyCBKGVEOKSBEETB-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.49
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-4-(2,2,4,4-tetramethylcyclobutylidene)thiane?
The IUPAC name of 3,3,5,5-tetramethyl-4-(2,2,4,4-tetramethylcyclobutylidene)thiane (CID 2751847) is 3,3,5,5-tetramethyl-4-(2,2,4,4-tetramethylcyclobutylidene)thiane.
What is the SMILES notation for 3,3,5,5-tetramethyl-4-(2,2,4,4-tetramethylcyclobutylidene)thiane?
The canonical SMILES for 3,3,5,5-tetramethyl-4-(2,2,4,4-tetramethylcyclobutylidene)thiane is CC1(C)CSCC(C)(C)C1=C1C(C)(C)CC1(C)C.
What is the InChIKey of 3,3,5,5-tetramethyl-4-(2,2,4,4-tetramethylcyclobutylidene)thiane?
The InChIKey is CBKGVEOKSBEETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30S/c1-14(2)9-15(3,4)12(14)13-16(5,6)10-18-11-17(13,7)8/h9-11H2,1-8H3.
What are the key properties of 3,3,5,5-tetramethyl-4-(2,2,4,4-tetramethylcyclobutylidene)thiane?
3,3,5,5-tetramethyl-4-(2,2,4,4-tetramethylcyclobutylidene)thiane has a molecular weight of 266.49 g/mol, XLogP of 5.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-4-(2,2,4,4-tetramethylcyclobutylidene)thiane is sourced from PubChem (CID 2751847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).