(3E)-5,5-dimethylhexa-1,3-diene

C8H14 — CID 5368952

IUPAC(3E)-5,5-dimethylhexa-1,3-diene
SMILESC=C/C=C/C(C)(C)C
InChIInChI=1S/C8H14/c1-5-6-7-8(2,3)4/h5-7H,1H2,2-4H3/b7-6+
InChIKeyYKCQGTKPNABNLF-VOTSOKGWSA-N
MW110.20 g/mol
LogP2.77
Rot. Bonds1

About (3E)-5,5-dimethylhexa-1,3-diene

(3E)-5,5-dimethylhexa-1,3-diene (PubChem CID 5368952) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is (3E)-5,5-dimethylhexa-1,3-diene.

Molecular Properties

Compound Name(3E)-5,5-dimethylhexa-1,3-diene
PubChem CID5368952
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name(3E)-5,5-dimethylhexa-1,3-diene
SMILESC=C/C=C/C(C)(C)C
InChIInChI=1S/C8H14/c1-5-6-7-8(2,3)4/h5-7H,1H2,2-4H3/b7-6+
InChIKeyYKCQGTKPNABNLF-VOTSOKGWSA-N
XLogP2.77
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 ≤ 52.77
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 (3E)-5,5-dimethylhexa-1,3-diene?
The IUPAC name of (3E)-5,5-dimethylhexa-1,3-diene (CID 5368952) is (3E)-5,5-dimethylhexa-1,3-diene.
What is the SMILES notation for (3E)-5,5-dimethylhexa-1,3-diene?
The canonical SMILES for (3E)-5,5-dimethylhexa-1,3-diene is C=C/C=C/C(C)(C)C.
What is the InChIKey of (3E)-5,5-dimethylhexa-1,3-diene?
The InChIKey is YKCQGTKPNABNLF-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H14/c1-5-6-7-8(2,3)4/h5-7H,1H2,2-4H3/b7-6+.
What are the key properties of (3E)-5,5-dimethylhexa-1,3-diene?
(3E)-5,5-dimethylhexa-1,3-diene has a molecular weight of 110.20 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5,5-dimethylhexa-1,3-diene is sourced from PubChem (CID 5368952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).