(3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene

C21H32 — CID 58792498

IUPAC(3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene
SMILESC=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C21H32/c1-7-11-19(4)14-9-15-21(6)17-10-16-20(5)13-8-12-18(2)3/h7,9,11-12,14-16H,1,8,10,13,17H2,2-6H3/b14-9+,19-11+,20-16+,21-15+
InChIKeyHAYTWKIKUCVPBE-XMCBHEORSA-N
MW284.49 g/mol
LogP7.09
Rot. Bonds9

About (3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene

(3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene (PubChem CID 58792498) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is (3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene.

Molecular Properties

Compound Name(3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene
PubChem CID58792498
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name(3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene
SMILESC=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C21H32/c1-7-11-19(4)14-9-15-21(6)17-10-16-20(5)13-8-12-18(2)3/h7,9,11-12,14-16H,1,8,10,13,17H2,2-6H3/b14-9+,19-11+,20-16+,21-15+
InChIKeyHAYTWKIKUCVPBE-XMCBHEORSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene?
The IUPAC name of (3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene (CID 58792498) is (3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene.
What is the SMILES notation for (3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene?
The canonical SMILES for (3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene is C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene?
The InChIKey is HAYTWKIKUCVPBE-XMCBHEORSA-N. The full InChI is InChI=1S/C21H32/c1-7-11-19(4)14-9-15-21(6)17-10-16-20(5)13-8-12-18(2)3/h7,9,11-12,14-16H,1,8,10,13,17H2,2-6H3/b14-9+,19-11+,20-16+,21-15+.
What are the key properties of (3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene?
(3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene has a molecular weight of 284.49 g/mol, XLogP of 7.09, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene is sourced from PubChem (CID 58792498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).