(4E)-2,3-dimethylhexa-1,4-diene

C8H14 — CID 5368910

IUPAC(4E)-2,3-dimethylhexa-1,4-diene
SMILESC=C(C)C(C)/C=C/C
InChIInChI=1S/C8H14/c1-5-6-8(4)7(2)3/h5-6,8H,2H2,1,3-4H3/b6-5+
InChIKeyQGDVKFLWAVKNAA-AATRIKPKSA-N
MW110.20 g/mol
LogP2.77
Rot. Bonds2

About (4E)-2,3-dimethylhexa-1,4-diene

(4E)-2,3-dimethylhexa-1,4-diene (PubChem CID 5368910) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is (4E)-2,3-dimethylhexa-1,4-diene.

Molecular Properties

Compound Name(4E)-2,3-dimethylhexa-1,4-diene
PubChem CID5368910
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name(4E)-2,3-dimethylhexa-1,4-diene
SMILESC=C(C)C(C)/C=C/C
InChIInChI=1S/C8H14/c1-5-6-8(4)7(2)3/h5-6,8H,2H2,1,3-4H3/b6-5+
InChIKeyQGDVKFLWAVKNAA-AATRIKPKSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.77
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

Dihydromyrcene
CID 17090
Dihydromyrcene, (+)-
CID 10887985
1,4-Hexadiene, 4-methyl-, cis-
CID 5367525
2-Methyl-3-heptene, (3E)-
CID 5357255
2-Hexene, 2,5-dimethyl-
CID 18853
7-Methyl-1,6-octadiene
CID 557579
Dihydromyrcene, (-)-
CID 10997105
2-Isopropyl-1,4-hexadiene
CID 6429324
Santolina triene
CID 519872
1-Methyl-1,4-cyclohexadiene
CID 78006
trans-3,4-Dimethyl-2-pentene
CID 638068
cis-3,4-Dimethyl-2-pentene
CID 643784

Frequently Asked Questions

What is the IUPAC name of (4E)-2,3-dimethylhexa-1,4-diene?
The IUPAC name of (4E)-2,3-dimethylhexa-1,4-diene (CID 5368910) is (4E)-2,3-dimethylhexa-1,4-diene.
What is the SMILES notation for (4E)-2,3-dimethylhexa-1,4-diene?
The canonical SMILES for (4E)-2,3-dimethylhexa-1,4-diene is C=C(C)C(C)/C=C/C.
What is the InChIKey of (4E)-2,3-dimethylhexa-1,4-diene?
The InChIKey is QGDVKFLWAVKNAA-AATRIKPKSA-N. The full InChI is InChI=1S/C8H14/c1-5-6-8(4)7(2)3/h5-6,8H,2H2,1,3-4H3/b6-5+.
What are the key properties of (4E)-2,3-dimethylhexa-1,4-diene?
(4E)-2,3-dimethylhexa-1,4-diene has a molecular weight of 110.20 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2,3-dimethylhexa-1,4-diene is sourced from PubChem (CID 5368910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).