2,4-dimethyl-3-methylidenepenta-1,4-diene

C8H12 — CID 12913413

IUPAC2,4-dimethyl-3-methylidenepenta-1,4-diene
SMILESC=C(C)C(=C)C(=C)C
InChIInChI=1S/C8H12/c1-6(2)8(5)7(3)4/h1,3,5H2,2,4H3
InChIKeyVEQREMYKCTVICX-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.69
Rot. Bonds2

About 2,4-dimethyl-3-methylidenepenta-1,4-diene

2,4-dimethyl-3-methylidenepenta-1,4-diene (PubChem CID 12913413) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 2,4-dimethyl-3-methylidenepenta-1,4-diene.

Molecular Properties

Compound Name2,4-dimethyl-3-methylidenepenta-1,4-diene
PubChem CID12913413
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name2,4-dimethyl-3-methylidenepenta-1,4-diene
SMILESC=C(C)C(=C)C(=C)C
InChIInChI=1S/C8H12/c1-6(2)8(5)7(3)4/h1,3,5H2,2,4H3
InChIKeyVEQREMYKCTVICX-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-3-methylidenepenta-1,4-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethylbuta-1,3-diene;ethane
CID 156868132
(4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene
CID 166480860
CID 131883821
CID 131883821
CID 101067560
CID 101067560
trimethyl(prop-1-en-2-yl)stannane
CID 11160026
ethane;tris(2-methylprop-1-ene)
CID 144520420
methane;tetrakis(2-methylprop-1-ene)
CID 159196476
(4E,6Z)-2,6-dimethyl-3-methylidene-4-prop-1-en-2-ylocta-1,4,6-triene
CID 153356652
2,4-dimethyl-3-prop-1-en-2-ylpenta-1,3-diene
CID 142833996
2,6,6-trimethyl-3-methylidenehept-1-en-4-one
CID 169195899
lithium;hydride;2-methylprop-1-ene
CID 174274839
prop-1-ene-2-tellurol
CID 102012383

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-methylidenepenta-1,4-diene?
The IUPAC name of 2,4-dimethyl-3-methylidenepenta-1,4-diene (CID 12913413) is 2,4-dimethyl-3-methylidenepenta-1,4-diene.
What is the SMILES notation for 2,4-dimethyl-3-methylidenepenta-1,4-diene?
The canonical SMILES for 2,4-dimethyl-3-methylidenepenta-1,4-diene is C=C(C)C(=C)C(=C)C.
What is the InChIKey of 2,4-dimethyl-3-methylidenepenta-1,4-diene?
The InChIKey is VEQREMYKCTVICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-6(2)8(5)7(3)4/h1,3,5H2,2,4H3.
What are the key properties of 2,4-dimethyl-3-methylidenepenta-1,4-diene?
2,4-dimethyl-3-methylidenepenta-1,4-diene has a molecular weight of 108.18 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-methylidenepenta-1,4-diene is sourced from PubChem (CID 12913413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).