(4E,8E)-3,7-dimethyldeca-1,4,8-triene

C12H20 — CID 22679021

IUPAC(4E,8E)-3,7-dimethyldeca-1,4,8-triene
SMILESC=CC(C)/C=C/CC(C)/C=C/C
InChIInChI=1S/C12H20/c1-5-8-12(4)10-7-9-11(3)6-2/h5-9,11-12H,2,10H2,1,3-4H3/b8-5+,9-7+
InChIKeyIYFFIGYXDVWKHO-OCIXRKKMSA-N
MW164.29 g/mol
LogP3.97
Rot. Bonds5

About (4E,8E)-3,7-dimethyldeca-1,4,8-triene

(4E,8E)-3,7-dimethyldeca-1,4,8-triene (PubChem CID 22679021) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (4E,8E)-3,7-dimethyldeca-1,4,8-triene.

Molecular Properties

Compound Name(4E,8E)-3,7-dimethyldeca-1,4,8-triene
PubChem CID22679021
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(4E,8E)-3,7-dimethyldeca-1,4,8-triene
SMILESC=CC(C)/C=C/CC(C)/C=C/C
InChIInChI=1S/C12H20/c1-5-8-12(4)10-7-9-11(3)6-2/h5-9,11-12H,2,10H2,1,3-4H3/b8-5+,9-7+
InChIKeyIYFFIGYXDVWKHO-OCIXRKKMSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,8E)-3,7-dimethyldeca-1,4,8-triene?
The IUPAC name of (4E,8E)-3,7-dimethyldeca-1,4,8-triene (CID 22679021) is (4E,8E)-3,7-dimethyldeca-1,4,8-triene.
What is the SMILES notation for (4E,8E)-3,7-dimethyldeca-1,4,8-triene?
The canonical SMILES for (4E,8E)-3,7-dimethyldeca-1,4,8-triene is C=CC(C)/C=C/CC(C)/C=C/C.
What is the InChIKey of (4E,8E)-3,7-dimethyldeca-1,4,8-triene?
The InChIKey is IYFFIGYXDVWKHO-OCIXRKKMSA-N. The full InChI is InChI=1S/C12H20/c1-5-8-12(4)10-7-9-11(3)6-2/h5-9,11-12H,2,10H2,1,3-4H3/b8-5+,9-7+.
What are the key properties of (4E,8E)-3,7-dimethyldeca-1,4,8-triene?
(4E,8E)-3,7-dimethyldeca-1,4,8-triene has a molecular weight of 164.29 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-3,7-dimethyldeca-1,4,8-triene is sourced from PubChem (CID 22679021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).