3-ethyl-1-ethylsulfanyl-4-methylpentane

C10H22S — CID 167199867

IUPAC3-ethyl-1-ethylsulfanyl-4-methylpentane
SMILESCCSCCC(CC)C(C)C
InChIInChI=1S/C10H22S/c1-5-10(9(3)4)7-8-11-6-2/h9-10H,5-8H2,1-4H3
InChIKeyZYRZDQDFHHCVGH-UHFFFAOYSA-N
MW174.35 g/mol
LogP3.81
Rot. Bonds6

About 3-ethyl-1-ethylsulfanyl-4-methylpentane

3-ethyl-1-ethylsulfanyl-4-methylpentane (PubChem CID 167199867) has the molecular formula C10H22S and a molecular weight of 174.35 g/mol. Its IUPAC name is 3-ethyl-1-ethylsulfanyl-4-methylpentane.

Molecular Properties

Compound Name3-ethyl-1-ethylsulfanyl-4-methylpentane
PubChem CID167199867
Molecular FormulaC10H22S
Molecular Weight174.35 g/mol
Exact Mass174.14
IUPAC Name3-ethyl-1-ethylsulfanyl-4-methylpentane
SMILESCCSCCC(CC)C(C)C
InChIInChI=1S/C10H22S/c1-5-10(9(3)4)7-8-11-6-2/h9-10H,5-8H2,1-4H3
InChIKeyZYRZDQDFHHCVGH-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-ethylsulfanyl-4-methylpentane?
The IUPAC name of 3-ethyl-1-ethylsulfanyl-4-methylpentane (CID 167199867) is 3-ethyl-1-ethylsulfanyl-4-methylpentane.
What is the SMILES notation for 3-ethyl-1-ethylsulfanyl-4-methylpentane?
The canonical SMILES for 3-ethyl-1-ethylsulfanyl-4-methylpentane is CCSCCC(CC)C(C)C.
What is the InChIKey of 3-ethyl-1-ethylsulfanyl-4-methylpentane?
The InChIKey is ZYRZDQDFHHCVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S/c1-5-10(9(3)4)7-8-11-6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-ethyl-1-ethylsulfanyl-4-methylpentane?
3-ethyl-1-ethylsulfanyl-4-methylpentane has a molecular weight of 174.35 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-ethylsulfanyl-4-methylpentane is sourced from PubChem (CID 167199867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).