(4E)-2,6,8,12-tetramethyltrideca-2,4-diene

C17H32 — CID 56936165

IUPAC(4E)-2,6,8,12-tetramethyltrideca-2,4-diene
SMILESCC(C)=C/C=C/C(C)CC(C)CCCC(C)C
InChIInChI=1S/C17H32/c1-14(2)9-7-11-16(5)13-17(6)12-8-10-15(3)4/h7,9,11,15-17H,8,10,12-13H2,1-6H3/b11-7+
InChIKeyLMFNXJRQTLHQPW-YRNVUSSQSA-N
MW236.44 g/mol
LogP6.00
Rot. Bonds8

About (4E)-2,6,8,12-tetramethyltrideca-2,4-diene

(4E)-2,6,8,12-tetramethyltrideca-2,4-diene (PubChem CID 56936165) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is (4E)-2,6,8,12-tetramethyltrideca-2,4-diene.

Molecular Properties

Compound Name(4E)-2,6,8,12-tetramethyltrideca-2,4-diene
PubChem CID56936165
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name(4E)-2,6,8,12-tetramethyltrideca-2,4-diene
SMILESCC(C)=C/C=C/C(C)CC(C)CCCC(C)C
InChIInChI=1S/C17H32/c1-14(2)9-7-11-16(5)13-17(6)12-8-10-15(3)4/h7,9,11,15-17H,8,10,12-13H2,1-6H3/b11-7+
InChIKeyLMFNXJRQTLHQPW-YRNVUSSQSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-2,6,8,12-tetramethyltrideca-2,4-diene?
The IUPAC name of (4E)-2,6,8,12-tetramethyltrideca-2,4-diene (CID 56936165) is (4E)-2,6,8,12-tetramethyltrideca-2,4-diene.
What is the SMILES notation for (4E)-2,6,8,12-tetramethyltrideca-2,4-diene?
The canonical SMILES for (4E)-2,6,8,12-tetramethyltrideca-2,4-diene is CC(C)=C/C=C/C(C)CC(C)CCCC(C)C.
What is the InChIKey of (4E)-2,6,8,12-tetramethyltrideca-2,4-diene?
The InChIKey is LMFNXJRQTLHQPW-YRNVUSSQSA-N. The full InChI is InChI=1S/C17H32/c1-14(2)9-7-11-16(5)13-17(6)12-8-10-15(3)4/h7,9,11,15-17H,8,10,12-13H2,1-6H3/b11-7+.
What are the key properties of (4E)-2,6,8,12-tetramethyltrideca-2,4-diene?
(4E)-2,6,8,12-tetramethyltrideca-2,4-diene has a molecular weight of 236.44 g/mol, XLogP of 6.00, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2,6,8,12-tetramethyltrideca-2,4-diene is sourced from PubChem (CID 56936165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).