(4E,8E)-4,5,8-trimethyldeca-1,4,8-triene

C13H22 — CID 20598416

IUPAC(4E,8E)-4,5,8-trimethyldeca-1,4,8-triene
SMILESC=CC/C(C)=C(\C)CC/C(C)=C/C
InChIInChI=1S/C13H22/c1-6-8-12(4)13(5)10-9-11(3)7-2/h6-7H,1,8-10H2,2-5H3/b11-7+,13-12+
InChIKeyUAPACFHADCHHDW-FREZGGHOSA-N
MW178.32 g/mol
LogP4.65
Rot. Bonds5

About (4E,8E)-4,5,8-trimethyldeca-1,4,8-triene

(4E,8E)-4,5,8-trimethyldeca-1,4,8-triene (PubChem CID 20598416) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is (4E,8E)-4,5,8-trimethyldeca-1,4,8-triene.

Molecular Properties

Compound Name(4E,8E)-4,5,8-trimethyldeca-1,4,8-triene
PubChem CID20598416
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name(4E,8E)-4,5,8-trimethyldeca-1,4,8-triene
SMILESC=CC/C(C)=C(\C)CC/C(C)=C/C
InChIInChI=1S/C13H22/c1-6-8-12(4)13(5)10-9-11(3)7-2/h6-7H,1,8-10H2,2-5H3/b11-7+,13-12+
InChIKeyUAPACFHADCHHDW-FREZGGHOSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.65
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

5-methylhepta-1,5-diene
CID 54049787
(4E,7E)-4,7-dimethylnona-1,4,7-triene
CID 173333591
ethane;(5Z)-5-methylhepta-1,5-diene
CID 142997772
(4E,7Z)-4-ethylidene-7,8-dimethyldeca-1,7-diene
CID 141018531
(4E,8E)-4,5,7,7,8-pentamethyldeca-1,4,8-triene
CID 20695232
11-methyltrideca-1,11-diene
CID 139774754
2-chloro-5-methylhepta-1,5-diene
CID 123504902
4,8-dimethyldeca-1,4,8-triene;5,8-dimethyldeca-1,4,8-triene;5,8-dimethyl-6-methylidenenona-1,4,7-triene;5-ethyl-9-methyldeca-1,4,8-triene;(8E)-5-ethyl-9-methylundeca-1,4,8-triene;8-methyldeca-1,4,8-triene;(4Z)-4,5,8-trimethyldeca-1,4,8-triene
CID 159562308
5-methylnona-1,4,7-triene
CID 59970949
(5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane
CID 144526797
4,6-dimethylocta-1,4,6-triene
CID 123877249
6-methyldeca-1,5,8-triene
CID 150645087

Frequently Asked Questions

What is the IUPAC name of (4E,8E)-4,5,8-trimethyldeca-1,4,8-triene?
The IUPAC name of (4E,8E)-4,5,8-trimethyldeca-1,4,8-triene (CID 20598416) is (4E,8E)-4,5,8-trimethyldeca-1,4,8-triene.
What is the SMILES notation for (4E,8E)-4,5,8-trimethyldeca-1,4,8-triene?
The canonical SMILES for (4E,8E)-4,5,8-trimethyldeca-1,4,8-triene is C=CC/C(C)=C(\C)CC/C(C)=C/C.
What is the InChIKey of (4E,8E)-4,5,8-trimethyldeca-1,4,8-triene?
The InChIKey is UAPACFHADCHHDW-FREZGGHOSA-N. The full InChI is InChI=1S/C13H22/c1-6-8-12(4)13(5)10-9-11(3)7-2/h6-7H,1,8-10H2,2-5H3/b11-7+,13-12+.
What are the key properties of (4E,8E)-4,5,8-trimethyldeca-1,4,8-triene?
(4E,8E)-4,5,8-trimethyldeca-1,4,8-triene has a molecular weight of 178.32 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-4,5,8-trimethyldeca-1,4,8-triene is sourced from PubChem (CID 20598416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).