1,5,5,8-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene

C15H24S — CID 71370462

IUPAC1,5,5,8-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene
SMILESCC1=CCC(C)(C)C=CCC2(C)SC2CC1
InChIInChI=1S/C15H24S/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3
InChIKeyRNAZTWUZAUOIKC-UHFFFAOYSA-N
MW236.42 g/mol
LogP4.96
Rot. Bonds

About 1,5,5,8-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene

1,5,5,8-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene (PubChem CID 71370462) has the molecular formula C15H24S and a molecular weight of 236.42 g/mol. Its IUPAC name is 1,5,5,8-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene.

Molecular Properties

Compound Name1,5,5,8-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene
PubChem CID71370462
Molecular FormulaC15H24S
Molecular Weight236.42 g/mol
Exact Mass236.16
IUPAC Name1,5,5,8-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene
SMILESCC1=CCC(C)(C)C=CCC2(C)SC2CC1
InChIInChI=1S/C15H24S/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3
InChIKeyRNAZTWUZAUOIKC-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.42
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5,5,8-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene?
The IUPAC name of 1,5,5,8-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene (CID 71370462) is 1,5,5,8-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene.
What is the SMILES notation for 1,5,5,8-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene?
The canonical SMILES for 1,5,5,8-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene is CC1=CCC(C)(C)C=CCC2(C)SC2CC1.
What is the InChIKey of 1,5,5,8-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene?
The InChIKey is RNAZTWUZAUOIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24S/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3.
What are the key properties of 1,5,5,8-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene?
1,5,5,8-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene has a molecular weight of 236.42 g/mol, XLogP of 4.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5,8-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene is sourced from PubChem (CID 71370462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).