2,2-dimethyl-1-methylsulfanylpentane

C8H18S — CID 118262911

IUPAC2,2-dimethyl-1-methylsulfanylpentane
SMILESCCCC(C)(C)CSC
InChIInChI=1S/C8H18S/c1-5-6-8(2,3)7-9-4/h5-7H2,1-4H3
InChIKeyKLMMYGKCTLOVIJ-UHFFFAOYSA-N
MW146.30 g/mol
LogP3.18
Rot. Bonds4

About 2,2-dimethyl-1-methylsulfanylpentane

2,2-dimethyl-1-methylsulfanylpentane (PubChem CID 118262911) has the molecular formula C8H18S and a molecular weight of 146.30 g/mol. Its IUPAC name is 2,2-dimethyl-1-methylsulfanylpentane.

Molecular Properties

Compound Name2,2-dimethyl-1-methylsulfanylpentane
PubChem CID118262911
Molecular FormulaC8H18S
Molecular Weight146.30 g/mol
Exact Mass146.11
IUPAC Name2,2-dimethyl-1-methylsulfanylpentane
SMILESCCCC(C)(C)CSC
InChIInChI=1S/C8H18S/c1-5-6-8(2,3)7-9-4/h5-7H2,1-4H3
InChIKeyKLMMYGKCTLOVIJ-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-methylsulfanylpentane?
The IUPAC name of 2,2-dimethyl-1-methylsulfanylpentane (CID 118262911) is 2,2-dimethyl-1-methylsulfanylpentane.
What is the SMILES notation for 2,2-dimethyl-1-methylsulfanylpentane?
The canonical SMILES for 2,2-dimethyl-1-methylsulfanylpentane is CCCC(C)(C)CSC.
What is the InChIKey of 2,2-dimethyl-1-methylsulfanylpentane?
The InChIKey is KLMMYGKCTLOVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S/c1-5-6-8(2,3)7-9-4/h5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-methylsulfanylpentane?
2,2-dimethyl-1-methylsulfanylpentane has a molecular weight of 146.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-methylsulfanylpentane is sourced from PubChem (CID 118262911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).