penta-1,3-diene;styrene

C21H24 — CID 161284559

IUPACpenta-1,3-diene;styrene
SMILESC=CC=CC.C=Cc1ccccc1.C=Cc1ccccc1
InChIInChI=1S/2C8H8.C5H8/c2*1-2-8-6-4-3-5-7-8;1-3-5-4-2/h2*2-7H,1H2;3-5H,1H2,2H3
InChIKeyVFNSMNYXBSDMNK-UHFFFAOYSA-N
MW276.42 g/mol
LogP6.41
Rot. Bonds3

About penta-1,3-diene;styrene

penta-1,3-diene;styrene (PubChem CID 161284559) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is penta-1,3-diene;styrene.

Molecular Properties

Compound Namepenta-1,3-diene;styrene
PubChem CID161284559
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Namepenta-1,3-diene;styrene
SMILESC=CC=CC.C=Cc1ccccc1.C=Cc1ccccc1
InChIInChI=1S/2C8H8.C5H8/c2*1-2-8-6-4-3-5-7-8;1-3-5-4-2/h2*2-7H,1H2;3-5H,1H2,2H3
InChIKeyVFNSMNYXBSDMNK-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 56.41
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

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Frequently Asked Questions

What is the IUPAC name of penta-1,3-diene;styrene?
The IUPAC name of penta-1,3-diene;styrene (CID 161284559) is penta-1,3-diene;styrene.
What is the SMILES notation for penta-1,3-diene;styrene?
The canonical SMILES for penta-1,3-diene;styrene is C=CC=CC.C=Cc1ccccc1.C=Cc1ccccc1.
What is the InChIKey of penta-1,3-diene;styrene?
The InChIKey is VFNSMNYXBSDMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8.C5H8/c2*1-2-8-6-4-3-5-7-8;1-3-5-4-2/h2*2-7H,1H2;3-5H,1H2,2H3.
What are the key properties of penta-1,3-diene;styrene?
penta-1,3-diene;styrene has a molecular weight of 276.42 g/mol, XLogP of 6.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for penta-1,3-diene;styrene is sourced from PubChem (CID 161284559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).