carbanide;cyclopentene;[(1R)-5-ethylcyclopent-2-en-1-yl]-diphenylphosphane;iron(2+)

C26H35FeP — CID 158935527

IUPACcarbanide;cyclopentene;[(1R)-5-ethylcyclopent-2-en-1-yl]-diphenylphosphane;iron(2+)
SMILESC1=CCCC1.CCC1CC=C[C@@H]1P(c1ccccc1)c1ccccc1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C19H21P.C5H8.2CH3.Fe/c1-2-16-10-9-15-19(16)20(17-11-5-3-6-12-17)18-13-7-4-8-14-18;1-2-4-5-3-1;;;/h3-9,11-16,19H,2,10H2,1H3;1-2H,3-5H2;2*1H3;/q;;2*-1;+2/t16?,19-;;;;/m0..../s1
InChIKeyJJPFJOMDRWFHOX-BPLXDLTQSA-N
MW434.39 g/mol
LogP7.10
Rot. Bonds4

About carbanide;cyclopentene;[(1R)-5-ethylcyclopent-2-en-1-yl]-diphenylphosphane;iron(2+)

carbanide;cyclopentene;[(1R)-5-ethylcyclopent-2-en-1-yl]-diphenylphosphane;iron(2+) (PubChem CID 158935527) has the molecular formula C26H35FeP and a molecular weight of 434.39 g/mol. Its IUPAC name is carbanide;cyclopentene;[(1R)-5-ethylcyclopent-2-en-1-yl]-diphenylphosphane;iron(2+).

Molecular Properties

Compound Namecarbanide;cyclopentene;[(1R)-5-ethylcyclopent-2-en-1-yl]-diphenylphosphane;iron(2+)
PubChem CID158935527
Molecular FormulaC26H35FeP
Molecular Weight434.39 g/mol
Exact Mass434.18
IUPAC Namecarbanide;cyclopentene;[(1R)-5-ethylcyclopent-2-en-1-yl]-diphenylphosphane;iron(2+)
SMILESC1=CCCC1.CCC1CC=C[C@@H]1P(c1ccccc1)c1ccccc1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C19H21P.C5H8.2CH3.Fe/c1-2-16-10-9-15-19(16)20(17-11-5-3-6-12-17)18-13-7-4-8-14-18;1-2-4-5-3-1;;;/h3-9,11-16,19H,2,10H2,1H3;1-2H,3-5H2;2*1H3;/q;;2*-1;+2/t16?,19-;;;;/m0..../s1
InChIKeyJJPFJOMDRWFHOX-BPLXDLTQSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.39
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

cyclohexa-2,4-dien-1-yl(diphenyl)phosphane
CID 4298218
cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine
CID 158995956
(2,3-diethyl-5,5-dimethylcyclohexyl)-diphenylphosphane
CID 144514461
cyclooctene;triphenylphosphane
CID 175429598
cyclononyl(diphenyl)phosphane
CID 70908257
bis(cyclopentyl(diphenyl)phosphane);dichloromethane
CID 160785084
(6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane
CID 123887097
carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+)
CID 155882684
(1Z,5Z)-cycloocta-1,5-diene;[(2S,3S)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane;rhodium;tetrafluoroborate
CID 12690485
carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+)
CID 137319737
[(2R)-2-[(1S)-cyclopent-2-en-1-yl]cyclopent-3-en-1-yl]-diphenylphosphane
CID 162273744
[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopent-2-en-1-yl]-diphenylphosphane;carbanide;cyclopentene;iron(2+)
CID 155882752

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopentene;[(1R)-5-ethylcyclopent-2-en-1-yl]-diphenylphosphane;iron(2+)?
The IUPAC name of carbanide;cyclopentene;[(1R)-5-ethylcyclopent-2-en-1-yl]-diphenylphosphane;iron(2+) (CID 158935527) is carbanide;cyclopentene;[(1R)-5-ethylcyclopent-2-en-1-yl]-diphenylphosphane;iron(2+).
What is the SMILES notation for carbanide;cyclopentene;[(1R)-5-ethylcyclopent-2-en-1-yl]-diphenylphosphane;iron(2+)?
The canonical SMILES for carbanide;cyclopentene;[(1R)-5-ethylcyclopent-2-en-1-yl]-diphenylphosphane;iron(2+) is C1=CCCC1.CCC1CC=C[C@@H]1P(c1ccccc1)c1ccccc1.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of carbanide;cyclopentene;[(1R)-5-ethylcyclopent-2-en-1-yl]-diphenylphosphane;iron(2+)?
The InChIKey is JJPFJOMDRWFHOX-BPLXDLTQSA-N. The full InChI is InChI=1S/C19H21P.C5H8.2CH3.Fe/c1-2-16-10-9-15-19(16)20(17-11-5-3-6-12-17)18-13-7-4-8-14-18;1-2-4-5-3-1;;;/h3-9,11-16,19H,2,10H2,1H3;1-2H,3-5H2;2*1H3;/q;;2*-1;+2/t16?,19-;;;;/m0..../s1.
What are the key properties of carbanide;cyclopentene;[(1R)-5-ethylcyclopent-2-en-1-yl]-diphenylphosphane;iron(2+)?
carbanide;cyclopentene;[(1R)-5-ethylcyclopent-2-en-1-yl]-diphenylphosphane;iron(2+) has a molecular weight of 434.39 g/mol, XLogP of 7.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentene;[(1R)-5-ethylcyclopent-2-en-1-yl]-diphenylphosphane;iron(2+) is sourced from PubChem (CID 158935527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).