2-methyl-2-(2-methylprop-1-enylsulfanyl)undecane

C16H32S — CID 19688836

IUPAC2-methyl-2-(2-methylprop-1-enylsulfanyl)undecane
SMILESCCCCCCCCCC(C)(C)SC=C(C)C
InChIInChI=1S/C16H32S/c1-6-7-8-9-10-11-12-13-16(4,5)17-14-15(2)3/h14H,6-13H2,1-5H3
InChIKeyQPNFELQXFAPXTF-UHFFFAOYSA-N
MW256.50 g/mol
LogP6.56
Rot. Bonds10

About 2-methyl-2-(2-methylprop-1-enylsulfanyl)undecane

2-methyl-2-(2-methylprop-1-enylsulfanyl)undecane (PubChem CID 19688836) has the molecular formula C16H32S and a molecular weight of 256.50 g/mol. Its IUPAC name is 2-methyl-2-(2-methylprop-1-enylsulfanyl)undecane.

Molecular Properties

Compound Name2-methyl-2-(2-methylprop-1-enylsulfanyl)undecane
PubChem CID19688836
Molecular FormulaC16H32S
Molecular Weight256.50 g/mol
Exact Mass256.22
IUPAC Name2-methyl-2-(2-methylprop-1-enylsulfanyl)undecane
SMILESCCCCCCCCCC(C)(C)SC=C(C)C
InChIInChI=1S/C16H32S/c1-6-7-8-9-10-11-12-13-16(4,5)17-14-15(2)3/h14H,6-13H2,1-5H3
InChIKeyQPNFELQXFAPXTF-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.50
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylprop-1-enylsulfanyl)undecane?
The IUPAC name of 2-methyl-2-(2-methylprop-1-enylsulfanyl)undecane (CID 19688836) is 2-methyl-2-(2-methylprop-1-enylsulfanyl)undecane.
What is the SMILES notation for 2-methyl-2-(2-methylprop-1-enylsulfanyl)undecane?
The canonical SMILES for 2-methyl-2-(2-methylprop-1-enylsulfanyl)undecane is CCCCCCCCCC(C)(C)SC=C(C)C.
What is the InChIKey of 2-methyl-2-(2-methylprop-1-enylsulfanyl)undecane?
The InChIKey is QPNFELQXFAPXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32S/c1-6-7-8-9-10-11-12-13-16(4,5)17-14-15(2)3/h14H,6-13H2,1-5H3.
What are the key properties of 2-methyl-2-(2-methylprop-1-enylsulfanyl)undecane?
2-methyl-2-(2-methylprop-1-enylsulfanyl)undecane has a molecular weight of 256.50 g/mol, XLogP of 6.56, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylprop-1-enylsulfanyl)undecane is sourced from PubChem (CID 19688836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).