2,3,4,5-tetramethylhexa-2,4-diene

C20H36 — CID 91142796

IUPAC2,3,4,5-tetramethylhexa-2,4-diene
SMILESCC(C)=C(C)C(C)=C(C)C.CC(C)=C(C)C(C)=C(C)C
InChIInChI=1S/2C10H18/c2*1-7(2)9(5)10(6)8(3)4/h2*1-6H3
InChIKeyFQGYGLINEFXJTO-UHFFFAOYSA-N
MW276.51 g/mol
LogP7.40
Rot. Bonds2

About 2,3,4,5-tetramethylhexa-2,4-diene

2,3,4,5-tetramethylhexa-2,4-diene (PubChem CID 91142796) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 2,3,4,5-tetramethylhexa-2,4-diene.

Molecular Properties

Compound Name2,3,4,5-tetramethylhexa-2,4-diene
PubChem CID91142796
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name2,3,4,5-tetramethylhexa-2,4-diene
SMILESCC(C)=C(C)C(C)=C(C)C.CC(C)=C(C)C(C)=C(C)C
InChIInChI=1S/2C10H18/c2*1-7(2)9(5)10(6)8(3)4/h2*1-6H3
InChIKeyFQGYGLINEFXJTO-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 57.40
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 2,3,4,5-tetramethylhexa-2,4-diene?
The IUPAC name of 2,3,4,5-tetramethylhexa-2,4-diene (CID 91142796) is 2,3,4,5-tetramethylhexa-2,4-diene.
What is the SMILES notation for 2,3,4,5-tetramethylhexa-2,4-diene?
The canonical SMILES for 2,3,4,5-tetramethylhexa-2,4-diene is CC(C)=C(C)C(C)=C(C)C.CC(C)=C(C)C(C)=C(C)C.
What is the InChIKey of 2,3,4,5-tetramethylhexa-2,4-diene?
The InChIKey is FQGYGLINEFXJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18/c2*1-7(2)9(5)10(6)8(3)4/h2*1-6H3.
What are the key properties of 2,3,4,5-tetramethylhexa-2,4-diene?
2,3,4,5-tetramethylhexa-2,4-diene has a molecular weight of 276.51 g/mol, XLogP of 7.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethylhexa-2,4-diene is sourced from PubChem (CID 91142796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).