buta-1,3-diene;3-methylidenepenta-1,4-diene

C10H14 — CID 173305203

IUPACbuta-1,3-diene;3-methylidenepenta-1,4-diene
SMILESC=CC(=C)C=C.C=CC=C
InChIInChI=1S/C6H8.C4H6/c1-4-6(3)5-2;1-3-4-2/h4-5H,1-3H2;3-4H,1-2H2
InChIKeyXMTZJQJWOIOZQJ-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.27
Rot. Bonds3

About buta-1,3-diene;3-methylidenepenta-1,4-diene

buta-1,3-diene;3-methylidenepenta-1,4-diene (PubChem CID 173305203) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is buta-1,3-diene;3-methylidenepenta-1,4-diene.

Molecular Properties

Compound Namebuta-1,3-diene;3-methylidenepenta-1,4-diene
PubChem CID173305203
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Namebuta-1,3-diene;3-methylidenepenta-1,4-diene
SMILESC=CC(=C)C=C.C=CC=C
InChIInChI=1S/C6H8.C4H6/c1-4-6(3)5-2;1-3-4-2/h4-5H,1-3H2;3-4H,1-2H2
InChIKeyXMTZJQJWOIOZQJ-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze buta-1,3-diene;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

bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
buta-1,3-diene
CID 7845
buta-1,3-diene;bis(2-methylprop-1-ene)
CID 157325462
buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene
CID 163756056
(1E)-1-iodo-3-methylidenepenta-1,4-diene
CID 88942119
buta-1,3-diene;zirconium
CID 173105589
magnesium buta-1,3-diene
CID 12825333
buta-1,3-diene;niobium
CID 159648114
buta-1,3-diene;sulfanide
CID 19865721
CID 158304462
CID 158304462
buta-1,3-diene;hydrochloride
CID 22994657
buta-1,3-diene;iron
CID 162166564

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;3-methylidenepenta-1,4-diene?
The IUPAC name of buta-1,3-diene;3-methylidenepenta-1,4-diene (CID 173305203) is buta-1,3-diene;3-methylidenepenta-1,4-diene.
What is the SMILES notation for buta-1,3-diene;3-methylidenepenta-1,4-diene?
The canonical SMILES for buta-1,3-diene;3-methylidenepenta-1,4-diene is C=CC(=C)C=C.C=CC=C.
What is the InChIKey of buta-1,3-diene;3-methylidenepenta-1,4-diene?
The InChIKey is XMTZJQJWOIOZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8.C4H6/c1-4-6(3)5-2;1-3-4-2/h4-5H,1-3H2;3-4H,1-2H2.
What are the key properties of buta-1,3-diene;3-methylidenepenta-1,4-diene?
buta-1,3-diene;3-methylidenepenta-1,4-diene has a molecular weight of 134.22 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;3-methylidenepenta-1,4-diene is sourced from PubChem (CID 173305203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).