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

C15H24O2S — CID 12572219

IUPAC(2E)-3,7-dimethyl-1-[(1E)-2-methylbuta-1,3-dienyl]sulfonylocta-2,6-diene
SMILESC=C/C(C)=C/S(=O)(=O)C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H24O2S/c1-6-14(4)12-18(16,17)11-10-15(5)9-7-8-13(2)3/h6,8,10,12H,1,7,9,11H2,2-5H3/b14-12+,15-10+
InChIKeyRMIHUOUNWSCAID-KPWNYXQSSA-N
MW268.42 g/mol
LogP4.18
Rot. Bonds7

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

(2E)-3,7-dimethyl-1-[(1E)-2-methylbuta-1,3-dienyl]sulfonylocta-2,6-diene (PubChem CID 12572219) has the molecular formula C15H24O2S and a molecular weight of 268.42 g/mol. Its IUPAC name is (2E)-3,7-dimethyl-1-[(1E)-2-methylbuta-1,3-dienyl]sulfonylocta-2,6-diene.

Molecular Properties

Compound Name(2E)-3,7-dimethyl-1-[(1E)-2-methylbuta-1,3-dienyl]sulfonylocta-2,6-diene
PubChem CID12572219
Molecular FormulaC15H24O2S
Molecular Weight268.42 g/mol
Exact Mass268.15
IUPAC Name(2E)-3,7-dimethyl-1-[(1E)-2-methylbuta-1,3-dienyl]sulfonylocta-2,6-diene
SMILESC=C/C(C)=C/S(=O)(=O)C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H24O2S/c1-6-14(4)12-18(16,17)11-10-15(5)9-7-8-13(2)3/h6,8,10,12H,1,7,9,11H2,2-5H3/b14-12+,15-10+
InChIKeyRMIHUOUNWSCAID-KPWNYXQSSA-N
XLogP4.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 54.18
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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Related Compounds

7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
CID 158652324
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene
CID 101345792
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
CID 6443227
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
CID 158402923
(1Z)-N,N,2,6-tetramethylhepta-1,5-diene-1-sulfonamide
CID 56942264
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
(6E,10E,14E)-2,6,10,15,18-pentamethylnonadeca-2,6,10,14-tetraene
CID 58369783

Frequently Asked Questions

What is the IUPAC name of (2E)-3,7-dimethyl-1-[(1E)-2-methylbuta-1,3-dienyl]sulfonylocta-2,6-diene?
The IUPAC name of (2E)-3,7-dimethyl-1-[(1E)-2-methylbuta-1,3-dienyl]sulfonylocta-2,6-diene (CID 12572219) is (2E)-3,7-dimethyl-1-[(1E)-2-methylbuta-1,3-dienyl]sulfonylocta-2,6-diene.
What is the SMILES notation for (2E)-3,7-dimethyl-1-[(1E)-2-methylbuta-1,3-dienyl]sulfonylocta-2,6-diene?
The canonical SMILES for (2E)-3,7-dimethyl-1-[(1E)-2-methylbuta-1,3-dienyl]sulfonylocta-2,6-diene is C=C/C(C)=C/S(=O)(=O)C/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E)-3,7-dimethyl-1-[(1E)-2-methylbuta-1,3-dienyl]sulfonylocta-2,6-diene?
The InChIKey is RMIHUOUNWSCAID-KPWNYXQSSA-N. The full InChI is InChI=1S/C15H24O2S/c1-6-14(4)12-18(16,17)11-10-15(5)9-7-8-13(2)3/h6,8,10,12H,1,7,9,11H2,2-5H3/b14-12+,15-10+.
What are the key properties of (2E)-3,7-dimethyl-1-[(1E)-2-methylbuta-1,3-dienyl]sulfonylocta-2,6-diene?
(2E)-3,7-dimethyl-1-[(1E)-2-methylbuta-1,3-dienyl]sulfonylocta-2,6-diene has a molecular weight of 268.42 g/mol, XLogP of 4.18, 7 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-[(1E)-2-methylbuta-1,3-dienyl]sulfonylocta-2,6-diene is sourced from PubChem (CID 12572219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).