3-buta-1,3-dienylidenecyclobutene

C8H8 — CID 123242067

IUPAC3-buta-1,3-dienylidenecyclobutene
SMILESC=CC=C=C1C=CC1
InChIInChI=1S/C8H8/c1-2-3-5-8-6-4-7-8/h2-4,6H,1,7H2
InChIKeyNTMSFPMUSKDGNX-UHFFFAOYSA-N
MW104.15 g/mol
LogP2.21
Rot. Bonds1

About 3-buta-1,3-dienylidenecyclobutene

3-buta-1,3-dienylidenecyclobutene (PubChem CID 123242067) has the molecular formula C8H8 and a molecular weight of 104.15 g/mol. Its IUPAC name is 3-buta-1,3-dienylidenecyclobutene.

Molecular Properties

Compound Name3-buta-1,3-dienylidenecyclobutene
PubChem CID123242067
Molecular FormulaC8H8
Molecular Weight104.15 g/mol
Exact Mass104.06
IUPAC Name3-buta-1,3-dienylidenecyclobutene
SMILESC=CC=C=C1C=CC1
InChIInChI=1S/C8H8/c1-2-3-5-8-6-4-7-8/h2-4,6H,1,7H2
InChIKeyNTMSFPMUSKDGNX-UHFFFAOYSA-N
XLogP2.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 52.21
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-dienylidenecyclopentadecane
CID 12980303
(3Z)-4-methylidene-3-[(2Z)-penta-2,4-dienylidene]cyclopentene
CID 142997299
3-prop-2-enoxycyclohexa-2,5-dien-1-one
CID 91248493
1,2-bis(ethenyl)-3-methylidenecyclohexa-1,4-diene
CID 145268237
(E)-cyclobut-2-en-1-ylidenemethanamine
CID 147295105
cyclobut-2-en-1-ylidene(methylidene)azanium
CID 159432541
2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol
CID 19936951
5-but-3-en-1-ynyl-1H-indene
CID 172693253
3-(oxomethylidene)cyclohexa-1,4-diene-1-carbaldehyde
CID 56614668
2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol;zirconium
CID 19936950
1-prop-2-enyl-3H-pyridine-2,6-dione
CID 131019098
1-(chloromethyl)-4-ethenylcyclohepta-1,3,5-triene
CID 145346186

Frequently Asked Questions

What is the IUPAC name of 3-buta-1,3-dienylidenecyclobutene?
The IUPAC name of 3-buta-1,3-dienylidenecyclobutene (CID 123242067) is 3-buta-1,3-dienylidenecyclobutene.
What is the SMILES notation for 3-buta-1,3-dienylidenecyclobutene?
The canonical SMILES for 3-buta-1,3-dienylidenecyclobutene is C=CC=C=C1C=CC1.
What is the InChIKey of 3-buta-1,3-dienylidenecyclobutene?
The InChIKey is NTMSFPMUSKDGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8/c1-2-3-5-8-6-4-7-8/h2-4,6H,1,7H2.
What are the key properties of 3-buta-1,3-dienylidenecyclobutene?
3-buta-1,3-dienylidenecyclobutene has a molecular weight of 104.15 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-buta-1,3-dienylidenecyclobutene is sourced from PubChem (CID 123242067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).