1-(3,7-dimethylocta-2,6-dienylsulfonyl)-3,7-dimethylocta-2,6-diene

C20H34O2S — CID 54194387

IUPAC1-(3,7-dimethylocta-2,6-dienylsulfonyl)-3,7-dimethylocta-2,6-diene
SMILESCC(C)=CCCC(C)=CCS(=O)(=O)CC=C(C)CCC=C(C)C
InChIInChI=1S/C20H34O2S/c1-17(2)9-7-11-19(5)13-15-23(21,22)16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3
InChIKeyPKTUARSWDKPPNE-UHFFFAOYSA-N
MW338.56 g/mol
LogP5.79
Rot. Bonds10

About 1-(3,7-dimethylocta-2,6-dienylsulfonyl)-3,7-dimethylocta-2,6-diene

1-(3,7-dimethylocta-2,6-dienylsulfonyl)-3,7-dimethylocta-2,6-diene (PubChem CID 54194387) has the molecular formula C20H34O2S and a molecular weight of 338.56 g/mol. Its IUPAC name is 1-(3,7-dimethylocta-2,6-dienylsulfonyl)-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name1-(3,7-dimethylocta-2,6-dienylsulfonyl)-3,7-dimethylocta-2,6-diene
PubChem CID54194387
Molecular FormulaC20H34O2S
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Name1-(3,7-dimethylocta-2,6-dienylsulfonyl)-3,7-dimethylocta-2,6-diene
SMILESCC(C)=CCCC(C)=CCS(=O)(=O)CC=C(C)CCC=C(C)C
InChIInChI=1S/C20H34O2S/c1-17(2)9-7-11-19(5)13-15-23(21,22)16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3
InChIKeyPKTUARSWDKPPNE-UHFFFAOYSA-N
XLogP5.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.56
LogP ≤ 55.79
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 1-(3,7-dimethylocta-2,6-dienylsulfonyl)-3,7-dimethylocta-2,6-diene?
The IUPAC name of 1-(3,7-dimethylocta-2,6-dienylsulfonyl)-3,7-dimethylocta-2,6-diene (CID 54194387) is 1-(3,7-dimethylocta-2,6-dienylsulfonyl)-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for 1-(3,7-dimethylocta-2,6-dienylsulfonyl)-3,7-dimethylocta-2,6-diene?
The canonical SMILES for 1-(3,7-dimethylocta-2,6-dienylsulfonyl)-3,7-dimethylocta-2,6-diene is CC(C)=CCCC(C)=CCS(=O)(=O)CC=C(C)CCC=C(C)C.
What is the InChIKey of 1-(3,7-dimethylocta-2,6-dienylsulfonyl)-3,7-dimethylocta-2,6-diene?
The InChIKey is PKTUARSWDKPPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2S/c1-17(2)9-7-11-19(5)13-15-23(21,22)16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3.
What are the key properties of 1-(3,7-dimethylocta-2,6-dienylsulfonyl)-3,7-dimethylocta-2,6-diene?
1-(3,7-dimethylocta-2,6-dienylsulfonyl)-3,7-dimethylocta-2,6-diene has a molecular weight of 338.56 g/mol, XLogP of 5.79, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethylocta-2,6-dienylsulfonyl)-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 54194387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).