(2-ethenylcyclopenta-2,4-dien-1-yl)-diphenylphosphane

C19H17P — CID 102163654

IUPAC(2-ethenylcyclopenta-2,4-dien-1-yl)-diphenylphosphane
SMILESC=CC1=CC=CC1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17P/c1-2-16-10-9-15-19(16)20(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h2-15,19H,1H2
InChIKeyJMBIFAJCPTXZIE-UHFFFAOYSA-N
MW276.32 g/mol
LogP4.17
Rot. Bonds4

About (2-ethenylcyclopenta-2,4-dien-1-yl)-diphenylphosphane

(2-ethenylcyclopenta-2,4-dien-1-yl)-diphenylphosphane (PubChem CID 102163654) has the molecular formula C19H17P and a molecular weight of 276.32 g/mol. Its IUPAC name is (2-ethenylcyclopenta-2,4-dien-1-yl)-diphenylphosphane.

Molecular Properties

Compound Name(2-ethenylcyclopenta-2,4-dien-1-yl)-diphenylphosphane
PubChem CID102163654
Molecular FormulaC19H17P
Molecular Weight276.32 g/mol
Exact Mass276.11
IUPAC Name(2-ethenylcyclopenta-2,4-dien-1-yl)-diphenylphosphane
SMILESC=CC1=CC=CC1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17P/c1-2-16-10-9-15-19(16)20(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h2-15,19H,1H2
InChIKeyJMBIFAJCPTXZIE-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 54.17
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

(6-methylidenecyclohexa-2,4-dien-1-yl)-diphenylphosphane;hydrobromide
CID 173182255
ditert-butyl-[(1R)-1-(5-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
CID 16689860
2-[1-[(5S)-5-diphenylphosphanylcyclopenta-1,3-dien-1-yl]ethoxy]ethanol
CID 122497284
(2,3-dichlorocyclopenta-2,4-dien-1-yl)-diphenylphosphane
CID 87145521
5-benzylidene-1,6-bis(ethenyl)cyclohexa-1,3-diene
CID 174289399
(5-tert-butylsulfanylcyclopenta-1,3-dien-1-yl)-diphenylphosphane
CID 102357317
6-[phenyl-[4-(trifluoromethyl)phenyl]phosphanyl]cyclohexa-2,4-dien-1-one
CID 150762300
(6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane
CID 123887097
styrene;tetrahydrofluoride
CID 68985344
CID 57450570
CID 57450570
cadmium;styrene
CID 158944156
benzene;ethene;styrene
CID 159006852

Frequently Asked Questions

What is the IUPAC name of (2-ethenylcyclopenta-2,4-dien-1-yl)-diphenylphosphane?
The IUPAC name of (2-ethenylcyclopenta-2,4-dien-1-yl)-diphenylphosphane (CID 102163654) is (2-ethenylcyclopenta-2,4-dien-1-yl)-diphenylphosphane.
What is the SMILES notation for (2-ethenylcyclopenta-2,4-dien-1-yl)-diphenylphosphane?
The canonical SMILES for (2-ethenylcyclopenta-2,4-dien-1-yl)-diphenylphosphane is C=CC1=CC=CC1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-ethenylcyclopenta-2,4-dien-1-yl)-diphenylphosphane?
The InChIKey is JMBIFAJCPTXZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17P/c1-2-16-10-9-15-19(16)20(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h2-15,19H,1H2.
What are the key properties of (2-ethenylcyclopenta-2,4-dien-1-yl)-diphenylphosphane?
(2-ethenylcyclopenta-2,4-dien-1-yl)-diphenylphosphane has a molecular weight of 276.32 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenylcyclopenta-2,4-dien-1-yl)-diphenylphosphane is sourced from PubChem (CID 102163654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).