2,2,3,7-tetramethyl-6-methylsulfanyldeca-3,5-diene

C15H28S — CID 91524736

IUPAC2,2,3,7-tetramethyl-6-methylsulfanyldeca-3,5-diene
SMILESCCCC(C)C(=CC=C(C)C(C)(C)C)SC
InChIInChI=1S/C15H28S/c1-8-9-12(2)14(16-7)11-10-13(3)15(4,5)6/h10-12H,8-9H2,1-7H3
InChIKeyYUHGXFNMXXQKKC-UHFFFAOYSA-N
MW240.46 g/mol
LogP5.66
Rot. Bonds5

About 2,2,3,7-tetramethyl-6-methylsulfanyldeca-3,5-diene

2,2,3,7-tetramethyl-6-methylsulfanyldeca-3,5-diene (PubChem CID 91524736) has the molecular formula C15H28S and a molecular weight of 240.46 g/mol. Its IUPAC name is 2,2,3,7-tetramethyl-6-methylsulfanyldeca-3,5-diene.

Molecular Properties

Compound Name2,2,3,7-tetramethyl-6-methylsulfanyldeca-3,5-diene
PubChem CID91524736
Molecular FormulaC15H28S
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name2,2,3,7-tetramethyl-6-methylsulfanyldeca-3,5-diene
SMILESCCCC(C)C(=CC=C(C)C(C)(C)C)SC
InChIInChI=1S/C15H28S/c1-8-9-12(2)14(16-7)11-10-13(3)15(4,5)6/h10-12H,8-9H2,1-7H3
InChIKeyYUHGXFNMXXQKKC-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.46
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,7-tetramethyl-6-methylsulfanyldeca-3,5-diene?
The IUPAC name of 2,2,3,7-tetramethyl-6-methylsulfanyldeca-3,5-diene (CID 91524736) is 2,2,3,7-tetramethyl-6-methylsulfanyldeca-3,5-diene.
What is the SMILES notation for 2,2,3,7-tetramethyl-6-methylsulfanyldeca-3,5-diene?
The canonical SMILES for 2,2,3,7-tetramethyl-6-methylsulfanyldeca-3,5-diene is CCCC(C)C(=CC=C(C)C(C)(C)C)SC.
What is the InChIKey of 2,2,3,7-tetramethyl-6-methylsulfanyldeca-3,5-diene?
The InChIKey is YUHGXFNMXXQKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28S/c1-8-9-12(2)14(16-7)11-10-13(3)15(4,5)6/h10-12H,8-9H2,1-7H3.
What are the key properties of 2,2,3,7-tetramethyl-6-methylsulfanyldeca-3,5-diene?
2,2,3,7-tetramethyl-6-methylsulfanyldeca-3,5-diene has a molecular weight of 240.46 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,7-tetramethyl-6-methylsulfanyldeca-3,5-diene is sourced from PubChem (CID 91524736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).