1,2-bis(ethenyl)-4,5-dimethyl-3-[(Z)-prop-1-enyl]benzene;buta-1,3-diene;ethane

C23H36 — CID 153344480

IUPAC1,2-bis(ethenyl)-4,5-dimethyl-3-[(Z)-prop-1-enyl]benzene;buta-1,3-diene;ethane
SMILESC=CC=C.C=Cc1cc(C)c(C)c(/C=C\C)c1C=C.CC.CC
InChIInChI=1S/C15H18.C4H6.2C2H6/c1-6-9-15-12(5)11(4)10-13(7-2)14(15)8-3;1-3-4-2;2*1-2/h6-10H,2-3H2,1,4-5H3;3-4H,1-2H2;2*1-2H3/b9-6-;;;
InChIKeyWEMBAMLQQSLFGQ-CPNIPSBZSA-N
MW312.54 g/mol
LogP8.03
Rot. Bonds4

About 1,2-bis(ethenyl)-4,5-dimethyl-3-[(Z)-prop-1-enyl]benzene;buta-1,3-diene;ethane

1,2-bis(ethenyl)-4,5-dimethyl-3-[(Z)-prop-1-enyl]benzene;buta-1,3-diene;ethane (PubChem CID 153344480) has the molecular formula C23H36 and a molecular weight of 312.54 g/mol. Its IUPAC name is 1,2-bis(ethenyl)-4,5-dimethyl-3-[(Z)-prop-1-enyl]benzene;buta-1,3-diene;ethane.

Molecular Properties

Compound Name1,2-bis(ethenyl)-4,5-dimethyl-3-[(Z)-prop-1-enyl]benzene;buta-1,3-diene;ethane
PubChem CID153344480
Molecular FormulaC23H36
Molecular Weight312.54 g/mol
Exact Mass312.28
IUPAC Name1,2-bis(ethenyl)-4,5-dimethyl-3-[(Z)-prop-1-enyl]benzene;buta-1,3-diene;ethane
SMILESC=CC=C.C=Cc1cc(C)c(C)c(/C=C\C)c1C=C.CC.CC
InChIInChI=1S/C15H18.C4H6.2C2H6/c1-6-9-15-12(5)11(4)10-13(7-2)14(15)8-3;1-3-4-2;2*1-2/h6-10H,2-3H2,1,4-5H3;3-4H,1-2H2;2*1-2H3/b9-6-;;;
InChIKeyWEMBAMLQQSLFGQ-CPNIPSBZSA-N
XLogP8.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,5-bis(ethenyl)-2-methyl-3,4,6-tris[(Z)-prop-1-enyl]benzene
CID 143846029
1-fluoro-2,4,5-trimethyl-3-[(E)-prop-1-enyl]benzene
CID 155174997
1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane
CID 142173958
5-ethenyl-3-fluoro-2-methyl-6-[(Z)-prop-1-enyl]benzonitrile
CID 156651034
1,2,3,5-tetramethyl-4-prop-1-enylbenzene
CID 173045732
1,2,3,4-tetramethyl-5-[(Z)-prop-1-enyl]benzene
CID 159527924
2-[(E)-2-chloroprop-1-enyl]-1-ethenyl-3,4,5-trimethylbenzene
CID 156548633
ethane;2-ethenyl-1,3,4-trimethylbenzene
CID 145148540
ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene
CID 172609650
3-ethenyl-2,5,6-trimethylphenol;methanol
CID 171080128
1,2,4-tris(ethenyl)-5-methylbenzene
CID 59335502
ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane
CID 143188972

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)-4,5-dimethyl-3-[(Z)-prop-1-enyl]benzene;buta-1,3-diene;ethane?
The IUPAC name of 1,2-bis(ethenyl)-4,5-dimethyl-3-[(Z)-prop-1-enyl]benzene;buta-1,3-diene;ethane (CID 153344480) is 1,2-bis(ethenyl)-4,5-dimethyl-3-[(Z)-prop-1-enyl]benzene;buta-1,3-diene;ethane.
What is the SMILES notation for 1,2-bis(ethenyl)-4,5-dimethyl-3-[(Z)-prop-1-enyl]benzene;buta-1,3-diene;ethane?
The canonical SMILES for 1,2-bis(ethenyl)-4,5-dimethyl-3-[(Z)-prop-1-enyl]benzene;buta-1,3-diene;ethane is C=CC=C.C=Cc1cc(C)c(C)c(/C=C\C)c1C=C.CC.CC.
What is the InChIKey of 1,2-bis(ethenyl)-4,5-dimethyl-3-[(Z)-prop-1-enyl]benzene;buta-1,3-diene;ethane?
The InChIKey is WEMBAMLQQSLFGQ-CPNIPSBZSA-N. The full InChI is InChI=1S/C15H18.C4H6.2C2H6/c1-6-9-15-12(5)11(4)10-13(7-2)14(15)8-3;1-3-4-2;2*1-2/h6-10H,2-3H2,1,4-5H3;3-4H,1-2H2;2*1-2H3/b9-6-;;;.
What are the key properties of 1,2-bis(ethenyl)-4,5-dimethyl-3-[(Z)-prop-1-enyl]benzene;buta-1,3-diene;ethane?
1,2-bis(ethenyl)-4,5-dimethyl-3-[(Z)-prop-1-enyl]benzene;buta-1,3-diene;ethane has a molecular weight of 312.54 g/mol, XLogP of 8.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)-4,5-dimethyl-3-[(Z)-prop-1-enyl]benzene;buta-1,3-diene;ethane is sourced from PubChem (CID 153344480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).