6-hex-5-enylsulfonylhex-1-ene

C12H22O2S — CID 11499601

IUPAC6-hex-5-enylsulfonylhex-1-ene
SMILESC=CCCCCS(=O)(=O)CCCCC=C
InChIInChI=1S/C12H22O2S/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2/h3-4H,1-2,5-12H2
InChIKeyAYKOUFFHDDNXGW-UHFFFAOYSA-N
MW230.37 g/mol
LogP3.11
Rot. Bonds10

About 6-hex-5-enylsulfonylhex-1-ene

6-hex-5-enylsulfonylhex-1-ene (PubChem CID 11499601) has the molecular formula C12H22O2S and a molecular weight of 230.37 g/mol. Its IUPAC name is 6-hex-5-enylsulfonylhex-1-ene.

Molecular Properties

Compound Name6-hex-5-enylsulfonylhex-1-ene
PubChem CID11499601
Molecular FormulaC12H22O2S
Molecular Weight230.37 g/mol
Exact Mass230.13
IUPAC Name6-hex-5-enylsulfonylhex-1-ene
SMILESC=CCCCCS(=O)(=O)CCCCC=C
InChIInChI=1S/C12H22O2S/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2/h3-4H,1-2,5-12H2
InChIKeyAYKOUFFHDDNXGW-UHFFFAOYSA-N
XLogP3.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-hex-5-enylsulfonylhex-1-ene?
The IUPAC name of 6-hex-5-enylsulfonylhex-1-ene (CID 11499601) is 6-hex-5-enylsulfonylhex-1-ene.
What is the SMILES notation for 6-hex-5-enylsulfonylhex-1-ene?
The canonical SMILES for 6-hex-5-enylsulfonylhex-1-ene is C=CCCCCS(=O)(=O)CCCCC=C.
What is the InChIKey of 6-hex-5-enylsulfonylhex-1-ene?
The InChIKey is AYKOUFFHDDNXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2S/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2/h3-4H,1-2,5-12H2.
What are the key properties of 6-hex-5-enylsulfonylhex-1-ene?
6-hex-5-enylsulfonylhex-1-ene has a molecular weight of 230.37 g/mol, XLogP of 3.11, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hex-5-enylsulfonylhex-1-ene is sourced from PubChem (CID 11499601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).