2-ethenyl-1-ethyl-4-prop-2-enylbenzene

C13H16 — CID 123275619

IUPAC2-ethenyl-1-ethyl-4-prop-2-enylbenzene
SMILESC=CCc1ccc(CC)c(C=C)c1
InChIInChI=1S/C13H16/c1-4-7-11-8-9-12(5-2)13(6-3)10-11/h4,6,8-10H,1,3,5,7H2,2H3
InChIKeyUYYHKYTXOXXAPI-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.62
Rot. Bonds4

About 2-ethenyl-1-ethyl-4-prop-2-enylbenzene

2-ethenyl-1-ethyl-4-prop-2-enylbenzene (PubChem CID 123275619) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-ethenyl-1-ethyl-4-prop-2-enylbenzene.

Molecular Properties

Compound Name2-ethenyl-1-ethyl-4-prop-2-enylbenzene
PubChem CID123275619
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name2-ethenyl-1-ethyl-4-prop-2-enylbenzene
SMILESC=CCc1ccc(CC)c(C=C)c1
InChIInChI=1S/C13H16/c1-4-7-11-8-9-12(5-2)13(6-3)10-11/h4,6,8-10H,1,3,5,7H2,2H3
InChIKeyUYYHKYTXOXXAPI-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.62
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

4-chloro-2-ethenyl-1-ethylbenzene
CID 118269080
1,4-dibutyl-2-ethenylbenzene
CID 140596757
1-ethyl-3,5-bis(prop-2-enyl)benzene
CID 158269021
1,2,3-triethyl-4-prop-2-enylbenzene
CID 18622289
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
2-ethyl-1-[2-(4-propan-2-ylphenyl)prop-2-enyl]-4-prop-2-enylbenzene
CID 169493054
2-(4-ethenyl-3-ethylphenyl)acetic acid
CID 143512870
1,2-bis(ethenyl)-4-(4-ethylphenyl)benzene
CID 156753876
2-ethyl-5-(hydroxymethyl)benzaldehyde
CID 131311847
ethanol;5-prop-2-enyl-1,3-benzodioxole
CID 175326771
2-prop-2-enoxy-1,4-bis(prop-2-enyl)benzene
CID 66892127
1-ethenyl-2-ethyl-4-methylbenzene
CID 18626822

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-ethyl-4-prop-2-enylbenzene?
The IUPAC name of 2-ethenyl-1-ethyl-4-prop-2-enylbenzene (CID 123275619) is 2-ethenyl-1-ethyl-4-prop-2-enylbenzene.
What is the SMILES notation for 2-ethenyl-1-ethyl-4-prop-2-enylbenzene?
The canonical SMILES for 2-ethenyl-1-ethyl-4-prop-2-enylbenzene is C=CCc1ccc(CC)c(C=C)c1.
What is the InChIKey of 2-ethenyl-1-ethyl-4-prop-2-enylbenzene?
The InChIKey is UYYHKYTXOXXAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-4-7-11-8-9-12(5-2)13(6-3)10-11/h4,6,8-10H,1,3,5,7H2,2H3.
What are the key properties of 2-ethenyl-1-ethyl-4-prop-2-enylbenzene?
2-ethenyl-1-ethyl-4-prop-2-enylbenzene has a molecular weight of 172.27 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-ethyl-4-prop-2-enylbenzene is sourced from PubChem (CID 123275619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).