2-diphenylphosphanylethyl (1S)-2,4-dimethylcyclopenta-2,4-diene-1-carboxylate

C22H23O2P — CID 102282785

IUPAC2-diphenylphosphanylethyl (1S)-2,4-dimethylcyclopenta-2,4-diene-1-carboxylate
SMILESCC1=C[C@H](C(=O)OCCP(c2ccccc2)c2ccccc2)C(C)=C1
InChIInChI=1S/C22H23O2P/c1-17-15-18(2)21(16-17)22(23)24-13-14-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15-16,21H,13-14H2,1-2H3/t21-/m0/s1
InChIKeyQZSBTSUODNAVSM-NRFANRHFSA-N
MW350.40 g/mol
LogP4.18
Rot. Bonds6

About 2-diphenylphosphanylethyl (1S)-2,4-dimethylcyclopenta-2,4-diene-1-carboxylate

2-diphenylphosphanylethyl (1S)-2,4-dimethylcyclopenta-2,4-diene-1-carboxylate (PubChem CID 102282785) has the molecular formula C22H23O2P and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-diphenylphosphanylethyl (1S)-2,4-dimethylcyclopenta-2,4-diene-1-carboxylate.

Molecular Properties

Compound Name2-diphenylphosphanylethyl (1S)-2,4-dimethylcyclopenta-2,4-diene-1-carboxylate
PubChem CID102282785
Molecular FormulaC22H23O2P
Molecular Weight350.40 g/mol
Exact Mass350.14
IUPAC Name2-diphenylphosphanylethyl (1S)-2,4-dimethylcyclopenta-2,4-diene-1-carboxylate
SMILESCC1=C[C@H](C(=O)OCCP(c2ccccc2)c2ccccc2)C(C)=C1
InChIInChI=1S/C22H23O2P/c1-17-15-18(2)21(16-17)22(23)24-13-14-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15-16,21H,13-14H2,1-2H3/t21-/m0/s1
InChIKeyQZSBTSUODNAVSM-NRFANRHFSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-diphenylphosphanylpropyl acetate
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CID 25267924
CID 25267924
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copper;2-diphenylphosphanylethyl(diphenyl)phosphane
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2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium
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2-diphenylphosphanylethyl 4-methylbenzenesulfonate
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2-[6-[2-(3-diphenylphosphanylpropanoyloxy)ethoxy]hexoxy]ethyl 3-diphenylphosphanylpropanoate
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CID 134991896

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanylethyl (1S)-2,4-dimethylcyclopenta-2,4-diene-1-carboxylate?
The IUPAC name of 2-diphenylphosphanylethyl (1S)-2,4-dimethylcyclopenta-2,4-diene-1-carboxylate (CID 102282785) is 2-diphenylphosphanylethyl (1S)-2,4-dimethylcyclopenta-2,4-diene-1-carboxylate.
What is the SMILES notation for 2-diphenylphosphanylethyl (1S)-2,4-dimethylcyclopenta-2,4-diene-1-carboxylate?
The canonical SMILES for 2-diphenylphosphanylethyl (1S)-2,4-dimethylcyclopenta-2,4-diene-1-carboxylate is CC1=C[C@H](C(=O)OCCP(c2ccccc2)c2ccccc2)C(C)=C1.
What is the InChIKey of 2-diphenylphosphanylethyl (1S)-2,4-dimethylcyclopenta-2,4-diene-1-carboxylate?
The InChIKey is QZSBTSUODNAVSM-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23O2P/c1-17-15-18(2)21(16-17)22(23)24-13-14-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15-16,21H,13-14H2,1-2H3/t21-/m0/s1.
What are the key properties of 2-diphenylphosphanylethyl (1S)-2,4-dimethylcyclopenta-2,4-diene-1-carboxylate?
2-diphenylphosphanylethyl (1S)-2,4-dimethylcyclopenta-2,4-diene-1-carboxylate has a molecular weight of 350.40 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanylethyl (1S)-2,4-dimethylcyclopenta-2,4-diene-1-carboxylate is sourced from PubChem (CID 102282785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).