2-[(Z)-but-2-en-2-yl]-1-ethenyl-3-propylbenzene

C15H20 — CID 156747890

IUPAC2-[(Z)-but-2-en-2-yl]-1-ethenyl-3-propylbenzene
SMILESC=Cc1cccc(CCC)c1/C(C)=C\C
InChIInChI=1S/C15H20/c1-5-9-14-11-8-10-13(7-3)15(14)12(4)6-2/h6-8,10-11H,3,5,9H2,1-2,4H3/b12-6-
InChIKeyDFIKMGNCPGHZRL-SDQBBNPISA-N
MW200.32 g/mol
LogP4.71
Rot. Bonds4

About 2-[(Z)-but-2-en-2-yl]-1-ethenyl-3-propylbenzene

2-[(Z)-but-2-en-2-yl]-1-ethenyl-3-propylbenzene (PubChem CID 156747890) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-[(Z)-but-2-en-2-yl]-1-ethenyl-3-propylbenzene.

Molecular Properties

Compound Name2-[(Z)-but-2-en-2-yl]-1-ethenyl-3-propylbenzene
PubChem CID156747890
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name2-[(Z)-but-2-en-2-yl]-1-ethenyl-3-propylbenzene
SMILESC=Cc1cccc(CCC)c1/C(C)=C\C
InChIInChI=1S/C15H20/c1-5-9-14-11-8-10-13(7-3)15(14)12(4)6-2/h6-8,10-11H,3,5,9H2,1-2,4H3/b12-6-
InChIKeyDFIKMGNCPGHZRL-SDQBBNPISA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[(Z)-but-2-en-2-yl]-1-ethenyl-3-propylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;1-butyl-2-ethenylbenzene
CID 174903313
1-butyl-2-chloro-3-ethenylbenzene
CID 174299293
1-ethenyl-2-pentylbenzene
CID 22171756
1,2-bis(ethenyl)-3-octadecylbenzene
CID 18628258
1-ethenyl-4-(2-propylphenyl)benzene
CID 90768054
2-[(Z)-but-2-en-2-yl]-1-N,3-N-diethylbenzene-1,3-diamine
CID 174672832
1-bromo-3-ethenyl-2-propylbenzene
CID 171086774
1-ethenyl-3-fluoro-2-propylbenzene
CID 66613054
1-[(1E)-buta-1,3-dienyl]-2-propylbenzene
CID 173472547
1-ethenyl-4-iodo-2-propylbenzene
CID 141346319
(2-butyl-6-ethenylphenyl)methanamine
CID 70520370
1-prop-2-enyl-2-propylbenzene
CID 12585186

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-en-2-yl]-1-ethenyl-3-propylbenzene?
The IUPAC name of 2-[(Z)-but-2-en-2-yl]-1-ethenyl-3-propylbenzene (CID 156747890) is 2-[(Z)-but-2-en-2-yl]-1-ethenyl-3-propylbenzene.
What is the SMILES notation for 2-[(Z)-but-2-en-2-yl]-1-ethenyl-3-propylbenzene?
The canonical SMILES for 2-[(Z)-but-2-en-2-yl]-1-ethenyl-3-propylbenzene is C=Cc1cccc(CCC)c1/C(C)=C\C.
What is the InChIKey of 2-[(Z)-but-2-en-2-yl]-1-ethenyl-3-propylbenzene?
The InChIKey is DFIKMGNCPGHZRL-SDQBBNPISA-N. The full InChI is InChI=1S/C15H20/c1-5-9-14-11-8-10-13(7-3)15(14)12(4)6-2/h6-8,10-11H,3,5,9H2,1-2,4H3/b12-6-.
What are the key properties of 2-[(Z)-but-2-en-2-yl]-1-ethenyl-3-propylbenzene?
2-[(Z)-but-2-en-2-yl]-1-ethenyl-3-propylbenzene has a molecular weight of 200.32 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-en-2-yl]-1-ethenyl-3-propylbenzene is sourced from PubChem (CID 156747890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).