7-hept-6-enylsulfonylhept-1-ene

C14H26O2S — CID 57019366

IUPAC7-hept-6-enylsulfonylhept-1-ene
SMILESC=CCCCCCS(=O)(=O)CCCCCC=C
InChIInChI=1S/C14H26O2S/c1-3-5-7-9-11-13-17(15,16)14-12-10-8-6-4-2/h3-4H,1-2,5-14H2
InChIKeyMWUMBVZTEFSWCG-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.89
Rot. Bonds12

About 7-hept-6-enylsulfonylhept-1-ene

7-hept-6-enylsulfonylhept-1-ene (PubChem CID 57019366) has the molecular formula C14H26O2S and a molecular weight of 258.43 g/mol. Its IUPAC name is 7-hept-6-enylsulfonylhept-1-ene.

Molecular Properties

Compound Name7-hept-6-enylsulfonylhept-1-ene
PubChem CID57019366
Molecular FormulaC14H26O2S
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name7-hept-6-enylsulfonylhept-1-ene
SMILESC=CCCCCCS(=O)(=O)CCCCCC=C
InChIInChI=1S/C14H26O2S/c1-3-5-7-9-11-13-17(15,16)14-12-10-8-6-4-2/h3-4H,1-2,5-14H2
InChIKeyMWUMBVZTEFSWCG-UHFFFAOYSA-N
XLogP3.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.89
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 7-hept-6-enylsulfonylhept-1-ene?
The IUPAC name of 7-hept-6-enylsulfonylhept-1-ene (CID 57019366) is 7-hept-6-enylsulfonylhept-1-ene.
What is the SMILES notation for 7-hept-6-enylsulfonylhept-1-ene?
The canonical SMILES for 7-hept-6-enylsulfonylhept-1-ene is C=CCCCCCS(=O)(=O)CCCCCC=C.
What is the InChIKey of 7-hept-6-enylsulfonylhept-1-ene?
The InChIKey is MWUMBVZTEFSWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2S/c1-3-5-7-9-11-13-17(15,16)14-12-10-8-6-4-2/h3-4H,1-2,5-14H2.
What are the key properties of 7-hept-6-enylsulfonylhept-1-ene?
7-hept-6-enylsulfonylhept-1-ene has a molecular weight of 258.43 g/mol, XLogP of 3.89, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hept-6-enylsulfonylhept-1-ene is sourced from PubChem (CID 57019366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).