buta-1,3-diene;bis(prop-1-enylbenzene)

C22H26 — CID 172716960

IUPACbuta-1,3-diene;bis(prop-1-enylbenzene)
SMILESC=CC=C.CC=Cc1ccccc1.CC=Cc1ccccc1
InChIInChI=1S/2C9H10.C4H6/c2*1-2-6-9-7-4-3-5-8-9;1-3-4-2/h2*2-8H,1H3;3-4H,1-2H2
InChIKeyFZKMYQAMXJGPQZ-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.80
Rot. Bonds3

About buta-1,3-diene;bis(prop-1-enylbenzene)

buta-1,3-diene;bis(prop-1-enylbenzene) (PubChem CID 172716960) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is buta-1,3-diene;bis(prop-1-enylbenzene).

Molecular Properties

Compound Namebuta-1,3-diene;bis(prop-1-enylbenzene)
PubChem CID172716960
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Namebuta-1,3-diene;bis(prop-1-enylbenzene)
SMILESC=CC=C.CC=Cc1ccccc1.CC=Cc1ccccc1
InChIInChI=1S/2C9H10.C4H6/c2*1-2-6-9-7-4-3-5-8-9;1-3-4-2/h2*2-8H,1H3;3-4H,1-2H2
InChIKeyFZKMYQAMXJGPQZ-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.80
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

ethane;[(Z)-prop-1-enyl]benzene
CID 90831801
CID 157355117
CID 157355117
2-methylprop-1-ene;prop-1-enylbenzene
CID 159398711
prop-1-enylbenzene;trimethylazanium;bromide
CID 69252782
2-deuterioethenylbenzene;prop-1-enylbenzene
CID 162227902
prop-1-enylbenzene;thiourea
CID 172856640
1-ethenyl-3-methylbenzene;prop-1-enylbenzene
CID 162018200
acetaldehyde;buta-1,3-dienylbenzene
CID 173416032
(E)-3-phenylprop-2-enal;[(E)-prop-1-enyl]benzene
CID 22568680
but-1-en-2-ylbenzene;prop-1-enylbenzene
CID 173014652
buta-1,3-dienylbenzene;tetrahydrochloride
CID 173415129
buta-1,3-diene;fluoromethane;styrene
CID 174915183

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;bis(prop-1-enylbenzene)?
The IUPAC name of buta-1,3-diene;bis(prop-1-enylbenzene) (CID 172716960) is buta-1,3-diene;bis(prop-1-enylbenzene).
What is the SMILES notation for buta-1,3-diene;bis(prop-1-enylbenzene)?
The canonical SMILES for buta-1,3-diene;bis(prop-1-enylbenzene) is C=CC=C.CC=Cc1ccccc1.CC=Cc1ccccc1.
What is the InChIKey of buta-1,3-diene;bis(prop-1-enylbenzene)?
The InChIKey is FZKMYQAMXJGPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10.C4H6/c2*1-2-6-9-7-4-3-5-8-9;1-3-4-2/h2*2-8H,1H3;3-4H,1-2H2.
What are the key properties of buta-1,3-diene;bis(prop-1-enylbenzene)?
buta-1,3-diene;bis(prop-1-enylbenzene) has a molecular weight of 290.45 g/mol, XLogP of 6.80, 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;bis(prop-1-enylbenzene) is sourced from PubChem (CID 172716960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).