5-ethenyl-1,2,3-trimethylbenzene;triphenylphosphane

C29H29P — CID 91183507

IUPAC5-ethenyl-1,2,3-trimethylbenzene;triphenylphosphane
SMILESC=Cc1cc(C)c(C)c(C)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C11H14/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-11-6-8(2)10(4)9(3)7-11/h1-15H;5-7H,1H2,2-4H3
InChIKeyFNJLDUQHZDUZKD-UHFFFAOYSA-N
MW408.53 g/mol
LogP6.70
Rot. Bonds4

About 5-ethenyl-1,2,3-trimethylbenzene;triphenylphosphane

5-ethenyl-1,2,3-trimethylbenzene;triphenylphosphane (PubChem CID 91183507) has the molecular formula C29H29P and a molecular weight of 408.53 g/mol. Its IUPAC name is 5-ethenyl-1,2,3-trimethylbenzene;triphenylphosphane.

Molecular Properties

Compound Name5-ethenyl-1,2,3-trimethylbenzene;triphenylphosphane
PubChem CID91183507
Molecular FormulaC29H29P
Molecular Weight408.53 g/mol
Exact Mass408.20
IUPAC Name5-ethenyl-1,2,3-trimethylbenzene;triphenylphosphane
SMILESC=Cc1cc(C)c(C)c(C)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C11H14/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-11-6-8(2)10(4)9(3)7-11/h1-15H;5-7H,1H2,2-4H3
InChIKeyFNJLDUQHZDUZKD-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.53
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis((4-ethenylphenyl)-diphenylphosphane);rhodium(2+);dichloride
CID 139083534
diphenylphosphanyl 4-ethenyl-2,6-dimethylbenzoate
CID 141028133
ethane;triphenylphosphane
CID 90942156
(4-ethenylphenyl)-bis(2-methylphenyl)phosphane
CID 87621287
triphenylphosphane
CID 139056248
[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane
CID 10282339
ethene;platinum;triphenylphosphane
CID 11071312
phenyl-bis(2,3,4-trimethylphenyl)phosphane
CID 19817893
plutonium;triphenylphosphane
CID 161300359
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
pentakis(palladium);hexadecakis(triphenylphosphane)
CID 173116735

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1,2,3-trimethylbenzene;triphenylphosphane?
The IUPAC name of 5-ethenyl-1,2,3-trimethylbenzene;triphenylphosphane (CID 91183507) is 5-ethenyl-1,2,3-trimethylbenzene;triphenylphosphane.
What is the SMILES notation for 5-ethenyl-1,2,3-trimethylbenzene;triphenylphosphane?
The canonical SMILES for 5-ethenyl-1,2,3-trimethylbenzene;triphenylphosphane is C=Cc1cc(C)c(C)c(C)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5-ethenyl-1,2,3-trimethylbenzene;triphenylphosphane?
The InChIKey is FNJLDUQHZDUZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C11H14/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-11-6-8(2)10(4)9(3)7-11/h1-15H;5-7H,1H2,2-4H3.
What are the key properties of 5-ethenyl-1,2,3-trimethylbenzene;triphenylphosphane?
5-ethenyl-1,2,3-trimethylbenzene;triphenylphosphane has a molecular weight of 408.53 g/mol, XLogP of 6.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,2,3-trimethylbenzene;triphenylphosphane is sourced from PubChem (CID 91183507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).