2-(3,4-dimethylpentan-2-ylsulfanyl)-3,4-dimethylpentane

C14H30S — CID 141460639

IUPAC2-(3,4-dimethylpentan-2-ylsulfanyl)-3,4-dimethylpentane
SMILESCC(C)C(C)C(C)SC(C)C(C)C(C)C
InChIInChI=1S/C14H30S/c1-9(2)11(5)13(7)15-14(8)12(6)10(3)4/h9-14H,1-8H3
InChIKeyWFZRGRDIEAMJNS-UHFFFAOYSA-N
MW230.46 g/mol
LogP5.08
Rot. Bonds6

About 2-(3,4-dimethylpentan-2-ylsulfanyl)-3,4-dimethylpentane

2-(3,4-dimethylpentan-2-ylsulfanyl)-3,4-dimethylpentane (PubChem CID 141460639) has the molecular formula C14H30S and a molecular weight of 230.46 g/mol. Its IUPAC name is 2-(3,4-dimethylpentan-2-ylsulfanyl)-3,4-dimethylpentane.

Molecular Properties

Compound Name2-(3,4-dimethylpentan-2-ylsulfanyl)-3,4-dimethylpentane
PubChem CID141460639
Molecular FormulaC14H30S
Molecular Weight230.46 g/mol
Exact Mass230.21
IUPAC Name2-(3,4-dimethylpentan-2-ylsulfanyl)-3,4-dimethylpentane
SMILESCC(C)C(C)C(C)SC(C)C(C)C(C)C
InChIInChI=1S/C14H30S/c1-9(2)11(5)13(7)15-14(8)12(6)10(3)4/h9-14H,1-8H3
InChIKeyWFZRGRDIEAMJNS-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.46
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3,4-dimethylpentan-2-ylsulfanyl)-3,4-dimethylpentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpentan-2-ylsulfanyl)-3,4-dimethylpentane?
The IUPAC name of 2-(3,4-dimethylpentan-2-ylsulfanyl)-3,4-dimethylpentane (CID 141460639) is 2-(3,4-dimethylpentan-2-ylsulfanyl)-3,4-dimethylpentane.
What is the SMILES notation for 2-(3,4-dimethylpentan-2-ylsulfanyl)-3,4-dimethylpentane?
The canonical SMILES for 2-(3,4-dimethylpentan-2-ylsulfanyl)-3,4-dimethylpentane is CC(C)C(C)C(C)SC(C)C(C)C(C)C.
What is the InChIKey of 2-(3,4-dimethylpentan-2-ylsulfanyl)-3,4-dimethylpentane?
The InChIKey is WFZRGRDIEAMJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30S/c1-9(2)11(5)13(7)15-14(8)12(6)10(3)4/h9-14H,1-8H3.
What are the key properties of 2-(3,4-dimethylpentan-2-ylsulfanyl)-3,4-dimethylpentane?
2-(3,4-dimethylpentan-2-ylsulfanyl)-3,4-dimethylpentane has a molecular weight of 230.46 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpentan-2-ylsulfanyl)-3,4-dimethylpentane is sourced from PubChem (CID 141460639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).