8-ethylsulfanyloct-1-yne

C10H18S — CID 91802737

IUPAC8-ethylsulfanyloct-1-yne
SMILESC#CCCCCCCSCC
InChIInChI=1S/C10H18S/c1-3-5-6-7-8-9-10-11-4-2/h1H,4-10H2,2H3
InChIKeyPJHLJKONVNDHLU-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.32
Rot. Bonds7

About 8-ethylsulfanyloct-1-yne

8-ethylsulfanyloct-1-yne (PubChem CID 91802737) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 8-ethylsulfanyloct-1-yne.

Molecular Properties

Compound Name8-ethylsulfanyloct-1-yne
PubChem CID91802737
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name8-ethylsulfanyloct-1-yne
SMILESC#CCCCCCCSCC
InChIInChI=1S/C10H18S/c1-3-5-6-7-8-9-10-11-4-2/h1H,4-10H2,2H3
InChIKeyPJHLJKONVNDHLU-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.32
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 8-ethylsulfanyloct-1-yne?
The IUPAC name of 8-ethylsulfanyloct-1-yne (CID 91802737) is 8-ethylsulfanyloct-1-yne.
What is the SMILES notation for 8-ethylsulfanyloct-1-yne?
The canonical SMILES for 8-ethylsulfanyloct-1-yne is C#CCCCCCCSCC.
What is the InChIKey of 8-ethylsulfanyloct-1-yne?
The InChIKey is PJHLJKONVNDHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-3-5-6-7-8-9-10-11-4-2/h1H,4-10H2,2H3.
What are the key properties of 8-ethylsulfanyloct-1-yne?
8-ethylsulfanyloct-1-yne has a molecular weight of 170.32 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylsulfanyloct-1-yne is sourced from PubChem (CID 91802737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).