(2E)-3,7-dimethyl-1-[(2E)-penta-2,4-dienyl]sulfonylocta-2,6-diene

C15H24O2S — CID 88833406

IUPAC(2E)-3,7-dimethyl-1-[(2E)-penta-2,4-dienyl]sulfonylocta-2,6-diene
SMILESC=C/C=C/CS(=O)(=O)C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H24O2S/c1-5-6-7-12-18(16,17)13-11-15(4)10-8-9-14(2)3/h5-7,9,11H,1,8,10,12-13H2,2-4H3/b7-6+,15-11+
InChIKeyREMUGRGCVCOTBF-IIWXPVLZSA-N
MW268.42 g/mol
LogP3.84
Rot. Bonds8

About (2E)-3,7-dimethyl-1-[(2E)-penta-2,4-dienyl]sulfonylocta-2,6-diene

(2E)-3,7-dimethyl-1-[(2E)-penta-2,4-dienyl]sulfonylocta-2,6-diene (PubChem CID 88833406) has the molecular formula C15H24O2S and a molecular weight of 268.42 g/mol. Its IUPAC name is (2E)-3,7-dimethyl-1-[(2E)-penta-2,4-dienyl]sulfonylocta-2,6-diene.

Molecular Properties

Compound Name(2E)-3,7-dimethyl-1-[(2E)-penta-2,4-dienyl]sulfonylocta-2,6-diene
PubChem CID88833406
Molecular FormulaC15H24O2S
Molecular Weight268.42 g/mol
Exact Mass268.15
IUPAC Name(2E)-3,7-dimethyl-1-[(2E)-penta-2,4-dienyl]sulfonylocta-2,6-diene
SMILESC=C/C=C/CS(=O)(=O)C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H24O2S/c1-5-6-7-12-18(16,17)13-11-15(4)10-8-9-14(2)3/h5-7,9,11H,1,8,10,12-13H2,2-4H3/b7-6+,15-11+
InChIKeyREMUGRGCVCOTBF-IIWXPVLZSA-N
XLogP3.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-3,7-dimethyl-1-[(2E)-penta-2,4-dienyl]sulfonylocta-2,6-diene?
The IUPAC name of (2E)-3,7-dimethyl-1-[(2E)-penta-2,4-dienyl]sulfonylocta-2,6-diene (CID 88833406) is (2E)-3,7-dimethyl-1-[(2E)-penta-2,4-dienyl]sulfonylocta-2,6-diene.
What is the SMILES notation for (2E)-3,7-dimethyl-1-[(2E)-penta-2,4-dienyl]sulfonylocta-2,6-diene?
The canonical SMILES for (2E)-3,7-dimethyl-1-[(2E)-penta-2,4-dienyl]sulfonylocta-2,6-diene is C=C/C=C/CS(=O)(=O)C/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E)-3,7-dimethyl-1-[(2E)-penta-2,4-dienyl]sulfonylocta-2,6-diene?
The InChIKey is REMUGRGCVCOTBF-IIWXPVLZSA-N. The full InChI is InChI=1S/C15H24O2S/c1-5-6-7-12-18(16,17)13-11-15(4)10-8-9-14(2)3/h5-7,9,11H,1,8,10,12-13H2,2-4H3/b7-6+,15-11+.
What are the key properties of (2E)-3,7-dimethyl-1-[(2E)-penta-2,4-dienyl]sulfonylocta-2,6-diene?
(2E)-3,7-dimethyl-1-[(2E)-penta-2,4-dienyl]sulfonylocta-2,6-diene has a molecular weight of 268.42 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,7-dimethyl-1-[(2E)-penta-2,4-dienyl]sulfonylocta-2,6-diene is sourced from PubChem (CID 88833406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).