1-ethyl-3,5-bis(prop-2-enyl)benzene

C14H18 — CID 158269021

IUPAC1-ethyl-3,5-bis(prop-2-enyl)benzene
SMILESC=CCc1cc(CC)cc(CC=C)c1
InChIInChI=1S/C14H18/c1-4-7-13-9-12(6-3)10-14(11-13)8-5-2/h4-5,9-11H,1-2,6-8H2,3H3
InChIKeyKUOITVMNGJYXBY-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.71
Rot. Bonds5

About 1-ethyl-3,5-bis(prop-2-enyl)benzene

1-ethyl-3,5-bis(prop-2-enyl)benzene (PubChem CID 158269021) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-ethyl-3,5-bis(prop-2-enyl)benzene.

Molecular Properties

Compound Name1-ethyl-3,5-bis(prop-2-enyl)benzene
PubChem CID158269021
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-ethyl-3,5-bis(prop-2-enyl)benzene
SMILESC=CCc1cc(CC)cc(CC=C)c1
InChIInChI=1S/C14H18/c1-4-7-13-9-12(6-3)10-14(11-13)8-5-2/h4-5,9-11H,1-2,6-8H2,3H3
InChIKeyKUOITVMNGJYXBY-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.71
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-ethyl-3,5-bis(prop-2-enyl)benzene?
The IUPAC name of 1-ethyl-3,5-bis(prop-2-enyl)benzene (CID 158269021) is 1-ethyl-3,5-bis(prop-2-enyl)benzene.
What is the SMILES notation for 1-ethyl-3,5-bis(prop-2-enyl)benzene?
The canonical SMILES for 1-ethyl-3,5-bis(prop-2-enyl)benzene is C=CCc1cc(CC)cc(CC=C)c1.
What is the InChIKey of 1-ethyl-3,5-bis(prop-2-enyl)benzene?
The InChIKey is KUOITVMNGJYXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-4-7-13-9-12(6-3)10-14(11-13)8-5-2/h4-5,9-11H,1-2,6-8H2,3H3.
What are the key properties of 1-ethyl-3,5-bis(prop-2-enyl)benzene?
1-ethyl-3,5-bis(prop-2-enyl)benzene has a molecular weight of 186.30 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-bis(prop-2-enyl)benzene is sourced from PubChem (CID 158269021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).