(4E,8E,12E)-5,9,13,16-tetramethylheptadeca-4,8,12-triene

C21H38 — CID 23553717

IUPAC(4E,8E,12E)-5,9,13,16-tetramethylheptadeca-4,8,12-triene
SMILESCCC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC(C)C
InChIInChI=1S/C21H38/c1-7-8-11-19(4)12-9-13-20(5)14-10-15-21(6)17-16-18(2)3/h11,13,15,18H,7-10,12,14,16-17H2,1-6H3/b19-11+,20-13+,21-15+
InChIKeySOXRJKZNPFKIOH-YKBIRWAZSA-N
MW290.54 g/mol
LogP7.62
Rot. Bonds11

About (4E,8E,12E)-5,9,13,16-tetramethylheptadeca-4,8,12-triene

(4E,8E,12E)-5,9,13,16-tetramethylheptadeca-4,8,12-triene (PubChem CID 23553717) has the molecular formula C21H38 and a molecular weight of 290.54 g/mol. Its IUPAC name is (4E,8E,12E)-5,9,13,16-tetramethylheptadeca-4,8,12-triene.

Molecular Properties

Compound Name(4E,8E,12E)-5,9,13,16-tetramethylheptadeca-4,8,12-triene
PubChem CID23553717
Molecular FormulaC21H38
Molecular Weight290.54 g/mol
Exact Mass290.30
IUPAC Name(4E,8E,12E)-5,9,13,16-tetramethylheptadeca-4,8,12-triene
SMILESCCC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC(C)C
InChIInChI=1S/C21H38/c1-7-8-11-19(4)12-9-13-20(5)14-10-15-21(6)17-16-18(2)3/h11,13,15,18H,7-10,12,14,16-17H2,1-6H3/b19-11+,20-13+,21-15+
InChIKeySOXRJKZNPFKIOH-YKBIRWAZSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.54
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4E,8E,12E)-5,9,13,16-tetramethylheptadeca-4,8,12-triene?
The IUPAC name of (4E,8E,12E)-5,9,13,16-tetramethylheptadeca-4,8,12-triene (CID 23553717) is (4E,8E,12E)-5,9,13,16-tetramethylheptadeca-4,8,12-triene.
What is the SMILES notation for (4E,8E,12E)-5,9,13,16-tetramethylheptadeca-4,8,12-triene?
The canonical SMILES for (4E,8E,12E)-5,9,13,16-tetramethylheptadeca-4,8,12-triene is CCC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC(C)C.
What is the InChIKey of (4E,8E,12E)-5,9,13,16-tetramethylheptadeca-4,8,12-triene?
The InChIKey is SOXRJKZNPFKIOH-YKBIRWAZSA-N. The full InChI is InChI=1S/C21H38/c1-7-8-11-19(4)12-9-13-20(5)14-10-15-21(6)17-16-18(2)3/h11,13,15,18H,7-10,12,14,16-17H2,1-6H3/b19-11+,20-13+,21-15+.
What are the key properties of (4E,8E,12E)-5,9,13,16-tetramethylheptadeca-4,8,12-triene?
(4E,8E,12E)-5,9,13,16-tetramethylheptadeca-4,8,12-triene has a molecular weight of 290.54 g/mol, XLogP of 7.62, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E,12E)-5,9,13,16-tetramethylheptadeca-4,8,12-triene is sourced from PubChem (CID 23553717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).