2-methylbuta-1,3-diene;penta-1,4-diene

C10H16 — CID 22568286

IUPAC2-methylbuta-1,3-diene;penta-1,4-diene
SMILESC=CC(=C)C.C=CCC=C
InChIInChI=1S/2C5H8/c1-4-5(2)3;1-3-5-4-2/h4H,1-2H2,3H3;3-4H,1-2,5H2
InChIKeyJLBYLZXWMSADAP-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.50
Rot. Bonds3

About 2-methylbuta-1,3-diene;penta-1,4-diene

2-methylbuta-1,3-diene;penta-1,4-diene (PubChem CID 22568286) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2-methylbuta-1,3-diene;penta-1,4-diene.

Molecular Properties

Compound Name2-methylbuta-1,3-diene;penta-1,4-diene
PubChem CID22568286
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2-methylbuta-1,3-diene;penta-1,4-diene
SMILESC=CC(=C)C.C=CCC=C
InChIInChI=1S/2C5H8/c1-4-5(2)3;1-3-5-4-2/h4H,1-2H2,3H3;3-4H,1-2,5H2
InChIKeyJLBYLZXWMSADAP-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-methylbuta-1,3-diene;penta-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

bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
formonitrile;2-methylbuta-1,3-diene
CID 159945395
methoxymethane;2-methylbuta-1,3-diene
CID 159763877
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene
CID 144585247
2-methylbuta-1,3-diene;pyrazine
CID 175573056
1,4-bis(4-ethylphenyl)benzene;bis(2-methylbuta-1,3-diene)
CID 145217101
buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene
CID 163756056
acetic acid;2-methylbuta-1,3-diene
CID 162329319
2-methylbuta-1,3-diene;pentane-2,4-dione
CID 18795140
3-methylhepta-1,3,6-triene
CID 71444747

Frequently Asked Questions

What is the IUPAC name of 2-methylbuta-1,3-diene;penta-1,4-diene?
The IUPAC name of 2-methylbuta-1,3-diene;penta-1,4-diene (CID 22568286) is 2-methylbuta-1,3-diene;penta-1,4-diene.
What is the SMILES notation for 2-methylbuta-1,3-diene;penta-1,4-diene?
The canonical SMILES for 2-methylbuta-1,3-diene;penta-1,4-diene is C=CC(=C)C.C=CCC=C.
What is the InChIKey of 2-methylbuta-1,3-diene;penta-1,4-diene?
The InChIKey is JLBYLZXWMSADAP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8/c1-4-5(2)3;1-3-5-4-2/h4H,1-2H2,3H3;3-4H,1-2,5H2.
What are the key properties of 2-methylbuta-1,3-diene;penta-1,4-diene?
2-methylbuta-1,3-diene;penta-1,4-diene has a molecular weight of 136.24 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbuta-1,3-diene;penta-1,4-diene is sourced from PubChem (CID 22568286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).