(E)-but-2-ene;ethane;2-ethyl-1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;prop-1-ene

C27H40 — CID 143951034

IUPAC(E)-but-2-ene;ethane;2-ethyl-1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;prop-1-ene
SMILESC/C=C/C.C=CC.CC.CCc1cc(/C=C/c2ccc(C)cc2)ccc1C
InChIInChI=1S/C18H20.C4H8.C3H6.C2H6/c1-4-18-13-17(10-7-15(18)3)12-11-16-8-5-14(2)6-9-16;1-3-4-2;1-3-2;1-2/h5-13H,4H2,1-3H3;3-4H,1-2H3;3H,1H2,2H3;1-2H3/b12-11+;4-3+;;
InChIKeyXZGUXVHVJIDBEL-BVDIHJHGSA-N
MW364.62 g/mol
LogP8.84
Rot. Bonds3

About (E)-but-2-ene;ethane;2-ethyl-1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;prop-1-ene

(E)-but-2-ene;ethane;2-ethyl-1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;prop-1-ene (PubChem CID 143951034) has the molecular formula C27H40 and a molecular weight of 364.62 g/mol. Its IUPAC name is (E)-but-2-ene;ethane;2-ethyl-1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;prop-1-ene.

Molecular Properties

Compound Name(E)-but-2-ene;ethane;2-ethyl-1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;prop-1-ene
PubChem CID143951034
Molecular FormulaC27H40
Molecular Weight364.62 g/mol
Exact Mass364.31
IUPAC Name(E)-but-2-ene;ethane;2-ethyl-1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;prop-1-ene
SMILESC/C=C/C.C=CC.CC.CCc1cc(/C=C/c2ccc(C)cc2)ccc1C
InChIInChI=1S/C18H20.C4H8.C3H6.C2H6/c1-4-18-13-17(10-7-15(18)3)12-11-16-8-5-14(2)6-9-16;1-3-4-2;1-3-2;1-2/h5-13H,4H2,1-3H3;3-4H,1-2H3;3H,1H2,2H3;1-2H3/b12-11+;4-3+;;
InChIKeyXZGUXVHVJIDBEL-BVDIHJHGSA-N
XLogP8.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-but-2-ene;ethane;2-ethyl-1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;prop-1-ene with MolForge

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Related Compounds

3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde
CID 123355717
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
2-ethyl-1-methyl-4-(4-methylphenyl)benzene
CID 59090118
ethane;1-ethyl-4-methylbenzene;prop-1-ene
CID 143347591
1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene
CID 160945990
2-(bromomethyl)-4-ethenyl-1-methylbenzene
CID 139992255
(Z)-hex-3-ene;(2E)-5-[(E)-2-(4-methylphenyl)ethenyl]-2-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,3-benzodithiol-2-ylidene]-1,3-benzodithiole;(Z)-pent-2-ene
CID 143687875
ethane;1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-methylbut-2-enyl]phenyl]ethenyl]phenyl]ethenyl]benzene;toluene;bis(1,3-xylene)
CID 143616422
buta-1,3-diene;ethane;prop-1-ene;1,4-xylene
CID 142250426
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
1,2,3-trimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 141387094

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-ene;ethane;2-ethyl-1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;prop-1-ene?
The IUPAC name of (E)-but-2-ene;ethane;2-ethyl-1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;prop-1-ene (CID 143951034) is (E)-but-2-ene;ethane;2-ethyl-1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;prop-1-ene.
What is the SMILES notation for (E)-but-2-ene;ethane;2-ethyl-1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;prop-1-ene?
The canonical SMILES for (E)-but-2-ene;ethane;2-ethyl-1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;prop-1-ene is C/C=C/C.C=CC.CC.CCc1cc(/C=C/c2ccc(C)cc2)ccc1C.
What is the InChIKey of (E)-but-2-ene;ethane;2-ethyl-1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;prop-1-ene?
The InChIKey is XZGUXVHVJIDBEL-BVDIHJHGSA-N. The full InChI is InChI=1S/C18H20.C4H8.C3H6.C2H6/c1-4-18-13-17(10-7-15(18)3)12-11-16-8-5-14(2)6-9-16;1-3-4-2;1-3-2;1-2/h5-13H,4H2,1-3H3;3-4H,1-2H3;3H,1H2,2H3;1-2H3/b12-11+;4-3+;;.
What are the key properties of (E)-but-2-ene;ethane;2-ethyl-1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;prop-1-ene?
(E)-but-2-ene;ethane;2-ethyl-1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;prop-1-ene has a molecular weight of 364.62 g/mol, XLogP of 8.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-ene;ethane;2-ethyl-1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;prop-1-ene is sourced from PubChem (CID 143951034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).