2,2,3,3-tetramethyl-4-methylsulfanylpentane

C10H22S — CID 139501675

IUPAC2,2,3,3-tetramethyl-4-methylsulfanylpentane
SMILESCSC(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C10H22S/c1-8(11-7)10(5,6)9(2,3)4/h8H,1-7H3
InChIKeyKHVOKUFQXBKJLL-UHFFFAOYSA-N
MW174.35 g/mol
LogP3.81
Rot. Bonds2

About 2,2,3,3-tetramethyl-4-methylsulfanylpentane

2,2,3,3-tetramethyl-4-methylsulfanylpentane (PubChem CID 139501675) has the molecular formula C10H22S and a molecular weight of 174.35 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-4-methylsulfanylpentane.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-4-methylsulfanylpentane
PubChem CID139501675
Molecular FormulaC10H22S
Molecular Weight174.35 g/mol
Exact Mass174.14
IUPAC Name2,2,3,3-tetramethyl-4-methylsulfanylpentane
SMILESCSC(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C10H22S/c1-8(11-7)10(5,6)9(2,3)4/h8H,1-7H3
InChIKeyKHVOKUFQXBKJLL-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-4-methylsulfanylpentane?
The IUPAC name of 2,2,3,3-tetramethyl-4-methylsulfanylpentane (CID 139501675) is 2,2,3,3-tetramethyl-4-methylsulfanylpentane.
What is the SMILES notation for 2,2,3,3-tetramethyl-4-methylsulfanylpentane?
The canonical SMILES for 2,2,3,3-tetramethyl-4-methylsulfanylpentane is CSC(C)C(C)(C)C(C)(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-4-methylsulfanylpentane?
The InChIKey is KHVOKUFQXBKJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S/c1-8(11-7)10(5,6)9(2,3)4/h8H,1-7H3.
What are the key properties of 2,2,3,3-tetramethyl-4-methylsulfanylpentane?
2,2,3,3-tetramethyl-4-methylsulfanylpentane has a molecular weight of 174.35 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-4-methylsulfanylpentane is sourced from PubChem (CID 139501675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).