1-ethenylcyclobutene;3-ethenylcyclobutene

C12H16 — CID 23196725

IUPAC1-ethenylcyclobutene;3-ethenylcyclobutene
SMILESC=CC1=CCC1.C=CC1C=CC1
InChIInChI=1S/2C6H8/c2*1-2-6-4-3-5-6/h2,4H,1,3,5H2;2-4,6H,1,5H2
InChIKeyUYEXRVPRPCKFSV-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.64
Rot. Bonds2

About 1-ethenylcyclobutene;3-ethenylcyclobutene

1-ethenylcyclobutene;3-ethenylcyclobutene (PubChem CID 23196725) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-ethenylcyclobutene;3-ethenylcyclobutene.

Molecular Properties

Compound Name1-ethenylcyclobutene;3-ethenylcyclobutene
PubChem CID23196725
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1-ethenylcyclobutene;3-ethenylcyclobutene
SMILESC=CC1=CCC1.C=CC1C=CC1
InChIInChI=1S/2C6H8/c2*1-2-6-4-3-5-6/h2,4H,1,3,5H2;2-4,6H,1,5H2
InChIKeyUYEXRVPRPCKFSV-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylcyclobutene;3-ethenylcyclobutene?
The IUPAC name of 1-ethenylcyclobutene;3-ethenylcyclobutene (CID 23196725) is 1-ethenylcyclobutene;3-ethenylcyclobutene.
What is the SMILES notation for 1-ethenylcyclobutene;3-ethenylcyclobutene?
The canonical SMILES for 1-ethenylcyclobutene;3-ethenylcyclobutene is C=CC1=CCC1.C=CC1C=CC1.
What is the InChIKey of 1-ethenylcyclobutene;3-ethenylcyclobutene?
The InChIKey is UYEXRVPRPCKFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H8/c2*1-2-6-4-3-5-6/h2,4H,1,3,5H2;2-4,6H,1,5H2.
What are the key properties of 1-ethenylcyclobutene;3-ethenylcyclobutene?
1-ethenylcyclobutene;3-ethenylcyclobutene has a molecular weight of 160.26 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylcyclobutene;3-ethenylcyclobutene is sourced from PubChem (CID 23196725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).