bis(buta-1,3-diene);propa-1,2-diene

C11H16 — CID 174876021

IUPACbis(buta-1,3-diene);propa-1,2-diene
SMILESC=C=C.C=CC=C.C=CC=C
InChIInChI=1S/2C4H6.C3H4/c2*1-3-4-2;1-3-2/h2*3-4H,1-2H2;1-2H2
InChIKeyDIAJHADIEVTXOU-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.67
Rot. Bonds2

About bis(buta-1,3-diene);propa-1,2-diene

bis(buta-1,3-diene);propa-1,2-diene (PubChem CID 174876021) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is bis(buta-1,3-diene);propa-1,2-diene.

Molecular Properties

Compound Namebis(buta-1,3-diene);propa-1,2-diene
PubChem CID174876021
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Namebis(buta-1,3-diene);propa-1,2-diene
SMILESC=C=C.C=CC=C.C=CC=C
InChIInChI=1S/2C4H6.C3H4/c2*1-3-4-2;1-3-2/h2*3-4H,1-2H2;1-2H2
InChIKeyDIAJHADIEVTXOU-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

buta-1,3-diene
CID 7845
buta-1,3-diene;sulfanide
CID 19865721
buta-1,3-diene;niobium
CID 159648114
magnesium buta-1,3-diene
CID 12825333
buta-1,3-diene;hydrochloride
CID 22994657
CID 158304462
CID 158304462
buta-1,3-diene;iron
CID 162166564
buta-1,3-diene;zirconium
CID 173105589
propa-1,2-diene
CID 10037
buta-1,3-diene;methane;uranium
CID 159390799
buta-1,3-diene;hydrazine
CID 159339609
buta-1,3-diene;molecular oxygen
CID 141321384

Frequently Asked Questions

What is the IUPAC name of bis(buta-1,3-diene);propa-1,2-diene?
The IUPAC name of bis(buta-1,3-diene);propa-1,2-diene (CID 174876021) is bis(buta-1,3-diene);propa-1,2-diene.
What is the SMILES notation for bis(buta-1,3-diene);propa-1,2-diene?
The canonical SMILES for bis(buta-1,3-diene);propa-1,2-diene is C=C=C.C=CC=C.C=CC=C.
What is the InChIKey of bis(buta-1,3-diene);propa-1,2-diene?
The InChIKey is DIAJHADIEVTXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6.C3H4/c2*1-3-4-2;1-3-2/h2*3-4H,1-2H2;1-2H2.
What are the key properties of bis(buta-1,3-diene);propa-1,2-diene?
bis(buta-1,3-diene);propa-1,2-diene has a molecular weight of 148.25 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(buta-1,3-diene);propa-1,2-diene is sourced from PubChem (CID 174876021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).