3,7,11,15-tetramethylhexadecane-1-thiol

C20H42S — CID 18533805

IUPAC3,7,11,15-tetramethylhexadecane-1-thiol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCS
InChIInChI=1S/C20H42S/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3
InChIKeyQVILPYZMIGWTDL-UHFFFAOYSA-N
MW314.62 g/mol
LogP7.38
Rot. Bonds14

About 3,7,11,15-tetramethylhexadecane-1-thiol

3,7,11,15-tetramethylhexadecane-1-thiol (PubChem CID 18533805) has the molecular formula C20H42S and a molecular weight of 314.62 g/mol. Its IUPAC name is 3,7,11,15-tetramethylhexadecane-1-thiol.

Molecular Properties

Compound Name3,7,11,15-tetramethylhexadecane-1-thiol
PubChem CID18533805
Molecular FormulaC20H42S
Molecular Weight314.62 g/mol
Exact Mass314.30
IUPAC Name3,7,11,15-tetramethylhexadecane-1-thiol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCS
InChIInChI=1S/C20H42S/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3
InChIKeyQVILPYZMIGWTDL-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.62
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,7,11,15-tetramethylhexadecane-1-thiol?
The IUPAC name of 3,7,11,15-tetramethylhexadecane-1-thiol (CID 18533805) is 3,7,11,15-tetramethylhexadecane-1-thiol.
What is the SMILES notation for 3,7,11,15-tetramethylhexadecane-1-thiol?
The canonical SMILES for 3,7,11,15-tetramethylhexadecane-1-thiol is CC(C)CCCC(C)CCCC(C)CCCC(C)CCS.
What is the InChIKey of 3,7,11,15-tetramethylhexadecane-1-thiol?
The InChIKey is QVILPYZMIGWTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42S/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3.
What are the key properties of 3,7,11,15-tetramethylhexadecane-1-thiol?
3,7,11,15-tetramethylhexadecane-1-thiol has a molecular weight of 314.62 g/mol, XLogP of 7.38, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethylhexadecane-1-thiol is sourced from PubChem (CID 18533805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).