(6E,11E)-10-ethenyl-2,3,6,10,13,16,20,21-octamethyl-17-methylidenedocosa-1,6,11,21-tetraene

C33H56 — CID 90658677

IUPAC(6E,11E)-10-ethenyl-2,3,6,10,13,16,20,21-octamethyl-17-methylidenedocosa-1,6,11,21-tetraene
SMILESC=CC(C)(/C=C/C(C)CCC(C)C(=C)CCC(C)C(=C)C)CC/C=C(\C)CCC(C)C(=C)C
InChIInChI=1S/C33H56/c1-13-33(12,23-14-15-27(6)16-18-29(8)25(2)3)24-22-28(7)17-19-31(10)32(11)21-20-30(9)26(4)5/h13,15,22,24,28-31H,1-2,4,11,14,16-21,23H2,3,5-10,12H3/b24-22+,27-15+
InChIKeyGUAPAZWRZCOQGT-JQUYWNEBSA-N
MW452.81 g/mol
LogP11.05
Rot. Bonds18

About (6E,11E)-10-ethenyl-2,3,6,10,13,16,20,21-octamethyl-17-methylidenedocosa-1,6,11,21-tetraene

(6E,11E)-10-ethenyl-2,3,6,10,13,16,20,21-octamethyl-17-methylidenedocosa-1,6,11,21-tetraene (PubChem CID 90658677) has the molecular formula C33H56 and a molecular weight of 452.81 g/mol. Its IUPAC name is (6E,11E)-10-ethenyl-2,3,6,10,13,16,20,21-octamethyl-17-methylidenedocosa-1,6,11,21-tetraene.

Molecular Properties

Compound Name(6E,11E)-10-ethenyl-2,3,6,10,13,16,20,21-octamethyl-17-methylidenedocosa-1,6,11,21-tetraene
PubChem CID90658677
Molecular FormulaC33H56
Molecular Weight452.81 g/mol
Exact Mass452.44
IUPAC Name(6E,11E)-10-ethenyl-2,3,6,10,13,16,20,21-octamethyl-17-methylidenedocosa-1,6,11,21-tetraene
SMILESC=CC(C)(/C=C/C(C)CCC(C)C(=C)CCC(C)C(=C)C)CC/C=C(\C)CCC(C)C(=C)C
InChIInChI=1S/C33H56/c1-13-33(12,23-14-15-27(6)16-18-29(8)25(2)3)24-22-28(7)17-19-31(10)32(11)21-20-30(9)26(4)5/h13,15,22,24,28-31H,1-2,4,11,14,16-21,23H2,3,5-10,12H3/b24-22+,27-15+
InChIKeyGUAPAZWRZCOQGT-JQUYWNEBSA-N
XLogP11.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.81
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (6E,11E)-10-ethenyl-2,3,6,10,13,16,20,21-octamethyl-17-methylidenedocosa-1,6,11,21-tetraene?
The IUPAC name of (6E,11E)-10-ethenyl-2,3,6,10,13,16,20,21-octamethyl-17-methylidenedocosa-1,6,11,21-tetraene (CID 90658677) is (6E,11E)-10-ethenyl-2,3,6,10,13,16,20,21-octamethyl-17-methylidenedocosa-1,6,11,21-tetraene.
What is the SMILES notation for (6E,11E)-10-ethenyl-2,3,6,10,13,16,20,21-octamethyl-17-methylidenedocosa-1,6,11,21-tetraene?
The canonical SMILES for (6E,11E)-10-ethenyl-2,3,6,10,13,16,20,21-octamethyl-17-methylidenedocosa-1,6,11,21-tetraene is C=CC(C)(/C=C/C(C)CCC(C)C(=C)CCC(C)C(=C)C)CC/C=C(\C)CCC(C)C(=C)C.
What is the InChIKey of (6E,11E)-10-ethenyl-2,3,6,10,13,16,20,21-octamethyl-17-methylidenedocosa-1,6,11,21-tetraene?
The InChIKey is GUAPAZWRZCOQGT-JQUYWNEBSA-N. The full InChI is InChI=1S/C33H56/c1-13-33(12,23-14-15-27(6)16-18-29(8)25(2)3)24-22-28(7)17-19-31(10)32(11)21-20-30(9)26(4)5/h13,15,22,24,28-31H,1-2,4,11,14,16-21,23H2,3,5-10,12H3/b24-22+,27-15+.
What are the key properties of (6E,11E)-10-ethenyl-2,3,6,10,13,16,20,21-octamethyl-17-methylidenedocosa-1,6,11,21-tetraene?
(6E,11E)-10-ethenyl-2,3,6,10,13,16,20,21-octamethyl-17-methylidenedocosa-1,6,11,21-tetraene has a molecular weight of 452.81 g/mol, XLogP of 11.05, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,11E)-10-ethenyl-2,3,6,10,13,16,20,21-octamethyl-17-methylidenedocosa-1,6,11,21-tetraene is sourced from PubChem (CID 90658677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).