2-methyl-2-methylsulfanyltetradecane

C16H34S — CID 91802493

IUPAC2-methyl-2-methylsulfanyltetradecane
SMILESCCCCCCCCCCCCC(C)(C)SC
InChIInChI=1S/C16H34S/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)17-4/h5-15H2,1-4H3
InChIKeyXZPMZAZPYIGHHW-UHFFFAOYSA-N
MW258.51 g/mol
LogP6.44
Rot. Bonds12

About 2-methyl-2-methylsulfanyltetradecane

2-methyl-2-methylsulfanyltetradecane (PubChem CID 91802493) has the molecular formula C16H34S and a molecular weight of 258.51 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanyltetradecane.

Molecular Properties

Compound Name2-methyl-2-methylsulfanyltetradecane
PubChem CID91802493
Molecular FormulaC16H34S
Molecular Weight258.51 g/mol
Exact Mass258.24
IUPAC Name2-methyl-2-methylsulfanyltetradecane
SMILESCCCCCCCCCCCCC(C)(C)SC
InChIInChI=1S/C16H34S/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)17-4/h5-15H2,1-4H3
InChIKeyXZPMZAZPYIGHHW-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.51
LogP ≤ 56.44
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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Related Compounds

11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
16,16,21,21-tetramethylhexatriacontane
CID 174880889
2-(2-methylundecan-2-ylsulfanyl)ethanamine
CID 23451912
2,2-dimethylpropane;heptane
CID 144531055
heptane;platinum
CID 160745252
5-butyl-5-methylpentadecane
CID 174700907
9-octyl-9-(9-octyloctadecan-9-yldisulfanyl)octadecane
CID 154104179
azane;2,2-dimethylundecane
CID 172735807
6-pentyl-6-(6-pentylundecan-6-yldisulfanyl)undecane
CID 154151409
2,2-dimethylundecane;hydrobromide
CID 172814192
5,5,6,6-tetramethyltridecane
CID 173349107

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfanyltetradecane?
The IUPAC name of 2-methyl-2-methylsulfanyltetradecane (CID 91802493) is 2-methyl-2-methylsulfanyltetradecane.
What is the SMILES notation for 2-methyl-2-methylsulfanyltetradecane?
The canonical SMILES for 2-methyl-2-methylsulfanyltetradecane is CCCCCCCCCCCCC(C)(C)SC.
What is the InChIKey of 2-methyl-2-methylsulfanyltetradecane?
The InChIKey is XZPMZAZPYIGHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34S/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)17-4/h5-15H2,1-4H3.
What are the key properties of 2-methyl-2-methylsulfanyltetradecane?
2-methyl-2-methylsulfanyltetradecane has a molecular weight of 258.51 g/mol, XLogP of 6.44, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfanyltetradecane is sourced from PubChem (CID 91802493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).