2,2-dimethyltrideca-3,4-diene

C15H28 — CID 134994881

IUPAC2,2-dimethyltrideca-3,4-diene
SMILESCCCCCCCCC=C=CC(C)(C)C
InChIInChI=1S/C15H28/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4/h12,14H,5-11H2,1-4H3
InChIKeyWMOGEOKEWBUCKL-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.49
Rot. Bonds7

About 2,2-dimethyltrideca-3,4-diene

2,2-dimethyltrideca-3,4-diene (PubChem CID 134994881) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 2,2-dimethyltrideca-3,4-diene.

Molecular Properties

Compound Name2,2-dimethyltrideca-3,4-diene
PubChem CID134994881
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name2,2-dimethyltrideca-3,4-diene
SMILESCCCCCCCCC=C=CC(C)(C)C
InChIInChI=1S/C15H28/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4/h12,14H,5-11H2,1-4H3
InChIKeyWMOGEOKEWBUCKL-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

pentacosa-12,13-diene
CID 174365678
octadeca-5,6-diene
CID 141110817
dodeca-3,4-diene
CID 91492112
dodeca-2,3-dienal
CID 11810769
octadeca-2,3-dien-1-ol
CID 138969077
bis(dec-1-ene);nonadeca-9,10-diene
CID 91436837
tetradeca-2,3-dienal
CID 25179784
pentacosa-2,3-dienenitrile
CID 175148775
pentadeca-1,4,5-triene
CID 174394424
heptatriaconta-15,18,19-triene
CID 57100861
dodeca-4,5-dienenitrile
CID 121006720
tetradeca-1,2-dienyl acetate
CID 145409573

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyltrideca-3,4-diene?
The IUPAC name of 2,2-dimethyltrideca-3,4-diene (CID 134994881) is 2,2-dimethyltrideca-3,4-diene.
What is the SMILES notation for 2,2-dimethyltrideca-3,4-diene?
The canonical SMILES for 2,2-dimethyltrideca-3,4-diene is CCCCCCCCC=C=CC(C)(C)C.
What is the InChIKey of 2,2-dimethyltrideca-3,4-diene?
The InChIKey is WMOGEOKEWBUCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4/h12,14H,5-11H2,1-4H3.
What are the key properties of 2,2-dimethyltrideca-3,4-diene?
2,2-dimethyltrideca-3,4-diene has a molecular weight of 208.39 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyltrideca-3,4-diene is sourced from PubChem (CID 134994881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).