(4E)-2,3-dimethylhexa-2,4-diene

C8H14 — CID 5368953

IUPAC(4E)-2,3-dimethylhexa-2,4-diene
SMILESC/C=C/C(C)=C(C)C
InChIInChI=1S/C8H14/c1-5-6-8(4)7(2)3/h5-6H,1-4H3/b6-5+
InChIKeyXPQJKTHTVOZXGD-AATRIKPKSA-N
MW110.20 g/mol
LogP2.92
Rot. Bonds1

About (4E)-2,3-dimethylhexa-2,4-diene

(4E)-2,3-dimethylhexa-2,4-diene (PubChem CID 5368953) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is (4E)-2,3-dimethylhexa-2,4-diene.

Molecular Properties

Compound Name(4E)-2,3-dimethylhexa-2,4-diene
PubChem CID5368953
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name(4E)-2,3-dimethylhexa-2,4-diene
SMILESC/C=C/C(C)=C(C)C
InChIInChI=1S/C8H14/c1-5-6-8(4)7(2)3/h5-6H,1-4H3/b6-5+
InChIKeyXPQJKTHTVOZXGD-AATRIKPKSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.92
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)-2,3-dimethylhexa-2,4-diene?
The IUPAC name of (4E)-2,3-dimethylhexa-2,4-diene (CID 5368953) is (4E)-2,3-dimethylhexa-2,4-diene.
What is the SMILES notation for (4E)-2,3-dimethylhexa-2,4-diene?
The canonical SMILES for (4E)-2,3-dimethylhexa-2,4-diene is C/C=C/C(C)=C(C)C.
What is the InChIKey of (4E)-2,3-dimethylhexa-2,4-diene?
The InChIKey is XPQJKTHTVOZXGD-AATRIKPKSA-N. The full InChI is InChI=1S/C8H14/c1-5-6-8(4)7(2)3/h5-6H,1-4H3/b6-5+.
What are the key properties of (4E)-2,3-dimethylhexa-2,4-diene?
(4E)-2,3-dimethylhexa-2,4-diene has a molecular weight of 110.20 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2,3-dimethylhexa-2,4-diene is sourced from PubChem (CID 5368953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).