6,10-dimethyl-2-methylsulfanyltridec-1-ene

C16H32S — CID 91501165

IUPAC6,10-dimethyl-2-methylsulfanyltridec-1-ene
SMILESC=C(CCCC(C)CCCC(C)CCC)SC
InChIInChI=1S/C16H32S/c1-6-9-14(2)10-7-11-15(3)12-8-13-16(4)17-5/h14-15H,4,6-13H2,1-3,5H3
InChIKeyTUMKVROOHXJDMZ-UHFFFAOYSA-N
MW256.50 g/mol
LogP6.28
Rot. Bonds11

About 6,10-dimethyl-2-methylsulfanyltridec-1-ene

6,10-dimethyl-2-methylsulfanyltridec-1-ene (PubChem CID 91501165) has the molecular formula C16H32S and a molecular weight of 256.50 g/mol. Its IUPAC name is 6,10-dimethyl-2-methylsulfanyltridec-1-ene.

Molecular Properties

Compound Name6,10-dimethyl-2-methylsulfanyltridec-1-ene
PubChem CID91501165
Molecular FormulaC16H32S
Molecular Weight256.50 g/mol
Exact Mass256.22
IUPAC Name6,10-dimethyl-2-methylsulfanyltridec-1-ene
SMILESC=C(CCCC(C)CCCC(C)CCC)SC
InChIInChI=1S/C16H32S/c1-6-9-14(2)10-7-11-15(3)12-8-13-16(4)17-5/h14-15H,4,6-13H2,1-3,5H3
InChIKeyTUMKVROOHXJDMZ-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.50
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,10-dimethyl-2-methylsulfanyltridec-1-ene?
The IUPAC name of 6,10-dimethyl-2-methylsulfanyltridec-1-ene (CID 91501165) is 6,10-dimethyl-2-methylsulfanyltridec-1-ene.
What is the SMILES notation for 6,10-dimethyl-2-methylsulfanyltridec-1-ene?
The canonical SMILES for 6,10-dimethyl-2-methylsulfanyltridec-1-ene is C=C(CCCC(C)CCCC(C)CCC)SC.
What is the InChIKey of 6,10-dimethyl-2-methylsulfanyltridec-1-ene?
The InChIKey is TUMKVROOHXJDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32S/c1-6-9-14(2)10-7-11-15(3)12-8-13-16(4)17-5/h14-15H,4,6-13H2,1-3,5H3.
What are the key properties of 6,10-dimethyl-2-methylsulfanyltridec-1-ene?
6,10-dimethyl-2-methylsulfanyltridec-1-ene has a molecular weight of 256.50 g/mol, XLogP of 6.28, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethyl-2-methylsulfanyltridec-1-ene is sourced from PubChem (CID 91501165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).