5-[1-(dimethylamino)ethyl]-4-diphenylphosphanyl-2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde

C25H32NOPSi — CID 87635133

IUPAC5-[1-(dimethylamino)ethyl]-4-diphenylphosphanyl-2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde
SMILESCC(C1C(P(c2ccccc2)c2ccccc2)=CC([Si](C)(C)C)=C1C=O)N(C)C
InChIInChI=1S/C25H32NOPSi/c1-19(26(2)3)25-22(18-27)24(29(4,5)6)17-23(25)28(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-19,25H,1-6H3
InChIKeyALTDYFGKQKBPBN-UHFFFAOYSA-N
MW421.60 g/mol
LogP4.96
Rot. Bonds7

About 5-[1-(dimethylamino)ethyl]-4-diphenylphosphanyl-2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde

5-[1-(dimethylamino)ethyl]-4-diphenylphosphanyl-2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde (PubChem CID 87635133) has the molecular formula C25H32NOPSi and a molecular weight of 421.60 g/mol. Its IUPAC name is 5-[1-(dimethylamino)ethyl]-4-diphenylphosphanyl-2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name5-[1-(dimethylamino)ethyl]-4-diphenylphosphanyl-2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde
PubChem CID87635133
Molecular FormulaC25H32NOPSi
Molecular Weight421.60 g/mol
Exact Mass421.20
IUPAC Name5-[1-(dimethylamino)ethyl]-4-diphenylphosphanyl-2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde
SMILESCC(C1C(P(c2ccccc2)c2ccccc2)=CC([Si](C)(C)C)=C1C=O)N(C)C
InChIInChI=1S/C25H32NOPSi/c1-19(26(2)3)25-22(18-27)24(29(4,5)6)17-23(25)28(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-19,25H,1-6H3
InChIKeyALTDYFGKQKBPBN-UHFFFAOYSA-N
XLogP4.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.60
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+)
CID 155882684
cyclopentane;1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron;hydrate
CID 171371546
(1R)-1-[2-[chloro(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine
CID 58470969
(1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine
CID 59690756
cyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium
CID 90743045
CID 25180409
CID 25180409
bis(di(propan-2-yl)carbamic acid);ruthenium;bis(triphenylphosphane)
CID 11480047
(1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+)
CID 162295201
1-(3-diethylphosphanyl-2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
CID 176528493
(1R)-1-cyclopentyl-N,N-dimethylethanamine;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium;dimethyl(phenyl)phosphane
CID 91444894
carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+))
CID 162295221
1-(2-bromo-5-diphenylphosphanyl-3-trimethylsilylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;cyclopentane;iron
CID 87634571

Frequently Asked Questions

What is the IUPAC name of 5-[1-(dimethylamino)ethyl]-4-diphenylphosphanyl-2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde?
The IUPAC name of 5-[1-(dimethylamino)ethyl]-4-diphenylphosphanyl-2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde (CID 87635133) is 5-[1-(dimethylamino)ethyl]-4-diphenylphosphanyl-2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 5-[1-(dimethylamino)ethyl]-4-diphenylphosphanyl-2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde?
The canonical SMILES for 5-[1-(dimethylamino)ethyl]-4-diphenylphosphanyl-2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde is CC(C1C(P(c2ccccc2)c2ccccc2)=CC([Si](C)(C)C)=C1C=O)N(C)C.
What is the InChIKey of 5-[1-(dimethylamino)ethyl]-4-diphenylphosphanyl-2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde?
The InChIKey is ALTDYFGKQKBPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32NOPSi/c1-19(26(2)3)25-22(18-27)24(29(4,5)6)17-23(25)28(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-19,25H,1-6H3.
What are the key properties of 5-[1-(dimethylamino)ethyl]-4-diphenylphosphanyl-2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde?
5-[1-(dimethylamino)ethyl]-4-diphenylphosphanyl-2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde has a molecular weight of 421.60 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(dimethylamino)ethyl]-4-diphenylphosphanyl-2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 87635133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).