2-methyl-6-propylsulfonylsulfonylhex-1-ene

C10H20O4S2 — CID 23554026

IUPAC2-methyl-6-propylsulfonylsulfonylhex-1-ene
SMILESC=C(C)CCCCS(=O)(=O)S(=O)(=O)CCC
InChIInChI=1S/C10H20O4S2/c1-4-8-15(11,12)16(13,14)9-6-5-7-10(2)3/h2,4-9H2,1,3H3
InChIKeyOBLUGGAMUBYFCJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.89
Rot. Bonds8

About 2-methyl-6-propylsulfonylsulfonylhex-1-ene

2-methyl-6-propylsulfonylsulfonylhex-1-ene (PubChem CID 23554026) has the molecular formula C10H20O4S2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-methyl-6-propylsulfonylsulfonylhex-1-ene.

Molecular Properties

Compound Name2-methyl-6-propylsulfonylsulfonylhex-1-ene
PubChem CID23554026
Molecular FormulaC10H20O4S2
Molecular Weight268.40 g/mol
Exact Mass268.08
IUPAC Name2-methyl-6-propylsulfonylsulfonylhex-1-ene
SMILESC=C(C)CCCCS(=O)(=O)S(=O)(=O)CCC
InChIInChI=1S/C10H20O4S2/c1-4-8-15(11,12)16(13,14)9-6-5-7-10(2)3/h2,4-9H2,1,3H3
InChIKeyOBLUGGAMUBYFCJ-UHFFFAOYSA-N
XLogP1.89
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propylsulfonylsulfonylhex-1-ene?
The IUPAC name of 2-methyl-6-propylsulfonylsulfonylhex-1-ene (CID 23554026) is 2-methyl-6-propylsulfonylsulfonylhex-1-ene.
What is the SMILES notation for 2-methyl-6-propylsulfonylsulfonylhex-1-ene?
The canonical SMILES for 2-methyl-6-propylsulfonylsulfonylhex-1-ene is C=C(C)CCCCS(=O)(=O)S(=O)(=O)CCC.
What is the InChIKey of 2-methyl-6-propylsulfonylsulfonylhex-1-ene?
The InChIKey is OBLUGGAMUBYFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4S2/c1-4-8-15(11,12)16(13,14)9-6-5-7-10(2)3/h2,4-9H2,1,3H3.
What are the key properties of 2-methyl-6-propylsulfonylsulfonylhex-1-ene?
2-methyl-6-propylsulfonylsulfonylhex-1-ene has a molecular weight of 268.40 g/mol, XLogP of 1.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propylsulfonylsulfonylhex-1-ene is sourced from PubChem (CID 23554026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).