8,11-dimethyldodeca-1,3,7-triene

C14H24 — CID 91281393

IUPAC8,11-dimethyldodeca-1,3,7-triene
SMILESC=CC=CCCC=C(C)CCC(C)C
InChIInChI=1S/C14H24/c1-5-6-7-8-9-10-14(4)12-11-13(2)3/h5-7,10,13H,1,8-9,11-12H2,2-4H3
InChIKeyRAJSZMMCGMJKGD-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.89
Rot. Bonds7

About 8,11-dimethyldodeca-1,3,7-triene

8,11-dimethyldodeca-1,3,7-triene (PubChem CID 91281393) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 8,11-dimethyldodeca-1,3,7-triene.

Molecular Properties

Compound Name8,11-dimethyldodeca-1,3,7-triene
PubChem CID91281393
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name8,11-dimethyldodeca-1,3,7-triene
SMILESC=CC=CCCC=C(C)CCC(C)C
InChIInChI=1S/C14H24/c1-5-6-7-8-9-10-14(4)12-11-13(2)3/h5-7,10,13H,1,8-9,11-12H2,2-4H3
InChIKeyRAJSZMMCGMJKGD-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,11-dimethyldodeca-1,3,7-triene?
The IUPAC name of 8,11-dimethyldodeca-1,3,7-triene (CID 91281393) is 8,11-dimethyldodeca-1,3,7-triene.
What is the SMILES notation for 8,11-dimethyldodeca-1,3,7-triene?
The canonical SMILES for 8,11-dimethyldodeca-1,3,7-triene is C=CC=CCCC=C(C)CCC(C)C.
What is the InChIKey of 8,11-dimethyldodeca-1,3,7-triene?
The InChIKey is RAJSZMMCGMJKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-5-6-7-8-9-10-14(4)12-11-13(2)3/h5-7,10,13H,1,8-9,11-12H2,2-4H3.
What are the key properties of 8,11-dimethyldodeca-1,3,7-triene?
8,11-dimethyldodeca-1,3,7-triene has a molecular weight of 192.35 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-dimethyldodeca-1,3,7-triene is sourced from PubChem (CID 91281393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).