4-methyl-2-(4-methylhexan-2-ylsulfanyl)hexane

C14H30S — CID 141460609

IUPAC4-methyl-2-(4-methylhexan-2-ylsulfanyl)hexane
SMILESCCC(C)CC(C)SC(C)CC(C)CC
InChIInChI=1S/C14H30S/c1-7-11(3)9-13(5)15-14(6)10-12(4)8-2/h11-14H,7-10H2,1-6H3
InChIKeyOCFDYRQUTFXDIU-UHFFFAOYSA-N
MW230.46 g/mol
LogP5.37
Rot. Bonds8

About 4-methyl-2-(4-methylhexan-2-ylsulfanyl)hexane

4-methyl-2-(4-methylhexan-2-ylsulfanyl)hexane (PubChem CID 141460609) has the molecular formula C14H30S and a molecular weight of 230.46 g/mol. Its IUPAC name is 4-methyl-2-(4-methylhexan-2-ylsulfanyl)hexane.

Molecular Properties

Compound Name4-methyl-2-(4-methylhexan-2-ylsulfanyl)hexane
PubChem CID141460609
Molecular FormulaC14H30S
Molecular Weight230.46 g/mol
Exact Mass230.21
IUPAC Name4-methyl-2-(4-methylhexan-2-ylsulfanyl)hexane
SMILESCCC(C)CC(C)SC(C)CC(C)CC
InChIInChI=1S/C14H30S/c1-7-11(3)9-13(5)15-14(6)10-12(4)8-2/h11-14H,7-10H2,1-6H3
InChIKeyOCFDYRQUTFXDIU-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.46
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(4S)-2,4-dimethylhexane
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(5S)-3-ethyl-5-methylheptane
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(4R)-2,4-dimethylhexane;methane
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylhexan-2-ylsulfanyl)hexane?
The IUPAC name of 4-methyl-2-(4-methylhexan-2-ylsulfanyl)hexane (CID 141460609) is 4-methyl-2-(4-methylhexan-2-ylsulfanyl)hexane.
What is the SMILES notation for 4-methyl-2-(4-methylhexan-2-ylsulfanyl)hexane?
The canonical SMILES for 4-methyl-2-(4-methylhexan-2-ylsulfanyl)hexane is CCC(C)CC(C)SC(C)CC(C)CC.
What is the InChIKey of 4-methyl-2-(4-methylhexan-2-ylsulfanyl)hexane?
The InChIKey is OCFDYRQUTFXDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30S/c1-7-11(3)9-13(5)15-14(6)10-12(4)8-2/h11-14H,7-10H2,1-6H3.
What are the key properties of 4-methyl-2-(4-methylhexan-2-ylsulfanyl)hexane?
4-methyl-2-(4-methylhexan-2-ylsulfanyl)hexane has a molecular weight of 230.46 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylhexan-2-ylsulfanyl)hexane is sourced from PubChem (CID 141460609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).