5-propylsulfanylpent-2-ene

C8H16S — CID 91551582

IUPAC5-propylsulfanylpent-2-ene
SMILESCC=CCCSCCC
InChIInChI=1S/C8H16S/c1-3-5-6-8-9-7-4-2/h3,5H,4,6-8H2,1-2H3
InChIKeyQXKZJXARXSCFCD-UHFFFAOYSA-N
MW144.28 g/mol
LogP3.10
Rot. Bonds5

About 5-propylsulfanylpent-2-ene

5-propylsulfanylpent-2-ene (PubChem CID 91551582) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 5-propylsulfanylpent-2-ene.

Molecular Properties

Compound Name5-propylsulfanylpent-2-ene
PubChem CID91551582
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name5-propylsulfanylpent-2-ene
SMILESCC=CCCSCCC
InChIInChI=1S/C8H16S/c1-3-5-6-8-9-7-4-2/h3,5H,4,6-8H2,1-2H3
InChIKeyQXKZJXARXSCFCD-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-propylsulfanylpent-2-ene?
The IUPAC name of 5-propylsulfanylpent-2-ene (CID 91551582) is 5-propylsulfanylpent-2-ene.
What is the SMILES notation for 5-propylsulfanylpent-2-ene?
The canonical SMILES for 5-propylsulfanylpent-2-ene is CC=CCCSCCC.
What is the InChIKey of 5-propylsulfanylpent-2-ene?
The InChIKey is QXKZJXARXSCFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-3-5-6-8-9-7-4-2/h3,5H,4,6-8H2,1-2H3.
What are the key properties of 5-propylsulfanylpent-2-ene?
5-propylsulfanylpent-2-ene has a molecular weight of 144.28 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylsulfanylpent-2-ene is sourced from PubChem (CID 91551582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).