2-propylsulfanyloct-1-ene

C11H22S — CID 102411477

IUPAC2-propylsulfanyloct-1-ene
SMILESC=C(CCCCCC)SCCC
InChIInChI=1S/C11H22S/c1-4-6-7-8-9-11(3)12-10-5-2/h3-10H2,1-2H3
InChIKeyWKVAXKAELMVONV-UHFFFAOYSA-N
MW186.36 g/mol
LogP4.61
Rot. Bonds8

About 2-propylsulfanyloct-1-ene

2-propylsulfanyloct-1-ene (PubChem CID 102411477) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is 2-propylsulfanyloct-1-ene.

Molecular Properties

Compound Name2-propylsulfanyloct-1-ene
PubChem CID102411477
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name2-propylsulfanyloct-1-ene
SMILESC=C(CCCCCC)SCCC
InChIInChI=1S/C11H22S/c1-4-6-7-8-9-11(3)12-10-5-2/h3-10H2,1-2H3
InChIKeyWKVAXKAELMVONV-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 54.61
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 2-propylsulfanyloct-1-ene?
The IUPAC name of 2-propylsulfanyloct-1-ene (CID 102411477) is 2-propylsulfanyloct-1-ene.
What is the SMILES notation for 2-propylsulfanyloct-1-ene?
The canonical SMILES for 2-propylsulfanyloct-1-ene is C=C(CCCCCC)SCCC.
What is the InChIKey of 2-propylsulfanyloct-1-ene?
The InChIKey is WKVAXKAELMVONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22S/c1-4-6-7-8-9-11(3)12-10-5-2/h3-10H2,1-2H3.
What are the key properties of 2-propylsulfanyloct-1-ene?
2-propylsulfanyloct-1-ene has a molecular weight of 186.36 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyloct-1-ene is sourced from PubChem (CID 102411477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).