5-ethylsulfanyl-3-methylpent-1-yne

C8H14S — CID 91186117

IUPAC5-ethylsulfanyl-3-methylpent-1-yne
SMILESC#CC(C)CCSCC
InChIInChI=1S/C8H14S/c1-4-8(3)6-7-9-5-2/h1,8H,5-7H2,2-3H3
InChIKeyADHSNUGUHNAMIE-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.40
Rot. Bonds4

About 5-ethylsulfanyl-3-methylpent-1-yne

5-ethylsulfanyl-3-methylpent-1-yne (PubChem CID 91186117) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 5-ethylsulfanyl-3-methylpent-1-yne.

Molecular Properties

Compound Name5-ethylsulfanyl-3-methylpent-1-yne
PubChem CID91186117
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name5-ethylsulfanyl-3-methylpent-1-yne
SMILESC#CC(C)CCSCC
InChIInChI=1S/C8H14S/c1-4-8(3)6-7-9-5-2/h1,8H,5-7H2,2-3H3
InChIKeyADHSNUGUHNAMIE-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-3-methylpent-1-yne?
The IUPAC name of 5-ethylsulfanyl-3-methylpent-1-yne (CID 91186117) is 5-ethylsulfanyl-3-methylpent-1-yne.
What is the SMILES notation for 5-ethylsulfanyl-3-methylpent-1-yne?
The canonical SMILES for 5-ethylsulfanyl-3-methylpent-1-yne is C#CC(C)CCSCC.
What is the InChIKey of 5-ethylsulfanyl-3-methylpent-1-yne?
The InChIKey is ADHSNUGUHNAMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-4-8(3)6-7-9-5-2/h1,8H,5-7H2,2-3H3.
What are the key properties of 5-ethylsulfanyl-3-methylpent-1-yne?
5-ethylsulfanyl-3-methylpent-1-yne has a molecular weight of 142.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-3-methylpent-1-yne is sourced from PubChem (CID 91186117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).