8-(3,7-dimethyloct-6-enylsulfonyl)-2,6-dimethyloct-2-ene

C20H38O2S — CID 86234102

IUPAC8-(3,7-dimethyloct-6-enylsulfonyl)-2,6-dimethyloct-2-ene
SMILESCC(C)=CCCC(C)CCS(=O)(=O)CCC(C)CCC=C(C)C
InChIInChI=1S/C20H38O2S/c1-17(2)9-7-11-19(5)13-15-23(21,22)16-14-20(6)12-8-10-18(3)4/h9-10,19-20H,7-8,11-16H2,1-6H3
InChIKeyHODJWJAZFPGHHF-UHFFFAOYSA-N
MW342.59 g/mol
LogP5.95
Rot. Bonds12

About 8-(3,7-dimethyloct-6-enylsulfonyl)-2,6-dimethyloct-2-ene

8-(3,7-dimethyloct-6-enylsulfonyl)-2,6-dimethyloct-2-ene (PubChem CID 86234102) has the molecular formula C20H38O2S and a molecular weight of 342.59 g/mol. Its IUPAC name is 8-(3,7-dimethyloct-6-enylsulfonyl)-2,6-dimethyloct-2-ene.

Molecular Properties

Compound Name8-(3,7-dimethyloct-6-enylsulfonyl)-2,6-dimethyloct-2-ene
PubChem CID86234102
Molecular FormulaC20H38O2S
Molecular Weight342.59 g/mol
Exact Mass342.26
IUPAC Name8-(3,7-dimethyloct-6-enylsulfonyl)-2,6-dimethyloct-2-ene
SMILESCC(C)=CCCC(C)CCS(=O)(=O)CCC(C)CCC=C(C)C
InChIInChI=1S/C20H38O2S/c1-17(2)9-7-11-19(5)13-15-23(21,22)16-14-20(6)12-8-10-18(3)4/h9-10,19-20H,7-8,11-16H2,1-6H3
InChIKeyHODJWJAZFPGHHF-UHFFFAOYSA-N
XLogP5.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.59
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(3,7-dimethyloct-6-enylsulfonyl)-2,6-dimethyloct-2-ene?
The IUPAC name of 8-(3,7-dimethyloct-6-enylsulfonyl)-2,6-dimethyloct-2-ene (CID 86234102) is 8-(3,7-dimethyloct-6-enylsulfonyl)-2,6-dimethyloct-2-ene.
What is the SMILES notation for 8-(3,7-dimethyloct-6-enylsulfonyl)-2,6-dimethyloct-2-ene?
The canonical SMILES for 8-(3,7-dimethyloct-6-enylsulfonyl)-2,6-dimethyloct-2-ene is CC(C)=CCCC(C)CCS(=O)(=O)CCC(C)CCC=C(C)C.
What is the InChIKey of 8-(3,7-dimethyloct-6-enylsulfonyl)-2,6-dimethyloct-2-ene?
The InChIKey is HODJWJAZFPGHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2S/c1-17(2)9-7-11-19(5)13-15-23(21,22)16-14-20(6)12-8-10-18(3)4/h9-10,19-20H,7-8,11-16H2,1-6H3.
What are the key properties of 8-(3,7-dimethyloct-6-enylsulfonyl)-2,6-dimethyloct-2-ene?
8-(3,7-dimethyloct-6-enylsulfonyl)-2,6-dimethyloct-2-ene has a molecular weight of 342.59 g/mol, XLogP of 5.95, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,7-dimethyloct-6-enylsulfonyl)-2,6-dimethyloct-2-ene is sourced from PubChem (CID 86234102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).