2-cyclobut-2-en-1-ylprop-2-enylbenzene

C13H14 — CID 11240731

IUPAC2-cyclobut-2-en-1-ylprop-2-enylbenzene
SMILESC=C(Cc1ccccc1)C1C=CC1
InChIInChI=1S/C13H14/c1-11(13-8-5-9-13)10-12-6-3-2-4-7-12/h2-8,13H,1,9-10H2
InChIKeyPMIBITPGPURDAE-UHFFFAOYSA-N
MW170.26 g/mol
LogP3.36
Rot. Bonds3

About 2-cyclobut-2-en-1-ylprop-2-enylbenzene

2-cyclobut-2-en-1-ylprop-2-enylbenzene (PubChem CID 11240731) has the molecular formula C13H14 and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-cyclobut-2-en-1-ylprop-2-enylbenzene.

Molecular Properties

Compound Name2-cyclobut-2-en-1-ylprop-2-enylbenzene
PubChem CID11240731
Molecular FormulaC13H14
Molecular Weight170.26 g/mol
Exact Mass170.11
IUPAC Name2-cyclobut-2-en-1-ylprop-2-enylbenzene
SMILESC=C(Cc1ccccc1)C1C=CC1
InChIInChI=1S/C13H14/c1-11(13-8-5-9-13)10-12-6-3-2-4-7-12/h2-8,13H,1,9-10H2
InChIKeyPMIBITPGPURDAE-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 7707970
3-cyclopropyl-1-phenylbut-3-en-2-one
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CID 10964655
3-phenylprop-1-en-2-ylboronic acid
CID 139035247
2,4-dibenzylpenta-1,4-dien-3-ol
CID 102034029
1-cyclohexa-2,4-dien-1-yl-3-phenylpropan-2-one
CID 70951910
3-benzylbut-3-en-1-ol
CID 22764430
trimethyl(3-phenylprop-1-en-2-yl)silane
CID 530293
formaldehyde;2-phenylacetic acid
CID 70638018
[(3Z)-4,5-dimethyl-2-methylidenehexa-3,5-dienyl]benzene
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Frequently Asked Questions

What is the IUPAC name of 2-cyclobut-2-en-1-ylprop-2-enylbenzene?
The IUPAC name of 2-cyclobut-2-en-1-ylprop-2-enylbenzene (CID 11240731) is 2-cyclobut-2-en-1-ylprop-2-enylbenzene.
What is the SMILES notation for 2-cyclobut-2-en-1-ylprop-2-enylbenzene?
The canonical SMILES for 2-cyclobut-2-en-1-ylprop-2-enylbenzene is C=C(Cc1ccccc1)C1C=CC1.
What is the InChIKey of 2-cyclobut-2-en-1-ylprop-2-enylbenzene?
The InChIKey is PMIBITPGPURDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-11(13-8-5-9-13)10-12-6-3-2-4-7-12/h2-8,13H,1,9-10H2.
What are the key properties of 2-cyclobut-2-en-1-ylprop-2-enylbenzene?
2-cyclobut-2-en-1-ylprop-2-enylbenzene has a molecular weight of 170.26 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobut-2-en-1-ylprop-2-enylbenzene is sourced from PubChem (CID 11240731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).