buta-1,3-diene;cyclohexa-1,3-diene

C10H14 — CID 86584203

IUPACbuta-1,3-diene;cyclohexa-1,3-diene
SMILESC1=CCCC=C1.C=CC=C
InChIInChI=1S/C6H8.C4H6/c1-2-4-6-5-3-1;1-3-4-2/h1-4H,5-6H2;3-4H,1-2H2
InChIKeyQGQIPFKQGIVANZ-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.25
Rot. Bonds1

About buta-1,3-diene;cyclohexa-1,3-diene

buta-1,3-diene;cyclohexa-1,3-diene (PubChem CID 86584203) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is buta-1,3-diene;cyclohexa-1,3-diene.

Molecular Properties

Compound Namebuta-1,3-diene;cyclohexa-1,3-diene
PubChem CID86584203
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Namebuta-1,3-diene;cyclohexa-1,3-diene
SMILESC1=CCCC=C1.C=CC=C
InChIInChI=1S/C6H8.C4H6/c1-2-4-6-5-3-1;1-3-4-2/h1-4H,5-6H2;3-4H,1-2H2
InChIKeyQGQIPFKQGIVANZ-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;cyclohexa-1,3-diene?
The IUPAC name of buta-1,3-diene;cyclohexa-1,3-diene (CID 86584203) is buta-1,3-diene;cyclohexa-1,3-diene.
What is the SMILES notation for buta-1,3-diene;cyclohexa-1,3-diene?
The canonical SMILES for buta-1,3-diene;cyclohexa-1,3-diene is C1=CCCC=C1.C=CC=C.
What is the InChIKey of buta-1,3-diene;cyclohexa-1,3-diene?
The InChIKey is QGQIPFKQGIVANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8.C4H6/c1-2-4-6-5-3-1;1-3-4-2/h1-4H,5-6H2;3-4H,1-2H2.
What are the key properties of buta-1,3-diene;cyclohexa-1,3-diene?
buta-1,3-diene;cyclohexa-1,3-diene has a molecular weight of 134.22 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;cyclohexa-1,3-diene is sourced from PubChem (CID 86584203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).