cis-(1R,2S)-2-[(tert-butyl-iodophosphanyl-phenylsilyl)oxymethyl]cyclopentan-1-ol

C16H26IO2PSi — CID 90087347

IUPACcis-(1R,2S)-2-[(tert-butyl-iodophosphanyl-phenylsilyl)oxymethyl]cyclopentan-1-ol
SMILESCC(C)(C)[Si](OC[C@@H]1CCC[C@H]1O)(PI)c1ccccc1
InChIInChI=1S/C16H26IO2PSi/c1-16(2,3)21(20-17,14-9-5-4-6-10-14)19-12-13-8-7-11-15(13)18/h4-6,9-10,13,15,18,20H,7-8,11-12H2,1-3H3/t13-,15+,21?/m0/s1
InChIKeyFEVMWEFAYSXNMH-YTTLREONSA-N
MW436.35 g/mol
LogP4.34
Rot. Bonds5

About cis-(1R,2S)-2-[(tert-butyl-iodophosphanyl-phenylsilyl)oxymethyl]cyclopentan-1-ol

cis-(1R,2S)-2-[(tert-butyl-iodophosphanyl-phenylsilyl)oxymethyl]cyclopentan-1-ol (PubChem CID 90087347) has the molecular formula C16H26IO2PSi and a molecular weight of 436.35 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(tert-butyl-iodophosphanyl-phenylsilyl)oxymethyl]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(tert-butyl-iodophosphanyl-phenylsilyl)oxymethyl]cyclopentan-1-ol
PubChem CID90087347
Molecular FormulaC16H26IO2PSi
Molecular Weight436.35 g/mol
Exact Mass436.05
IUPAC Namecis-(1R,2S)-2-[(tert-butyl-iodophosphanyl-phenylsilyl)oxymethyl]cyclopentan-1-ol
SMILESCC(C)(C)[Si](OC[C@@H]1CCC[C@H]1O)(PI)c1ccccc1
InChIInChI=1S/C16H26IO2PSi/c1-16(2,3)21(20-17,14-9-5-4-6-10-14)19-12-13-8-7-11-15(13)18/h4-6,9-10,13,15,18,20H,7-8,11-12H2,1-3H3/t13-,15+,21?/m0/s1
InChIKeyFEVMWEFAYSXNMH-YTTLREONSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(tert-butyl-iodophosphanyl-phenylsilyl)oxymethyl]cyclopentan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[(tert-butyl-iodophosphanyl-phenylsilyl)oxymethyl]cyclopentan-1-ol (CID 90087347) is cis-(1R,2S)-2-[(tert-butyl-iodophosphanyl-phenylsilyl)oxymethyl]cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[(tert-butyl-iodophosphanyl-phenylsilyl)oxymethyl]cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[(tert-butyl-iodophosphanyl-phenylsilyl)oxymethyl]cyclopentan-1-ol is CC(C)(C)[Si](OC[C@@H]1CCC[C@H]1O)(PI)c1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-[(tert-butyl-iodophosphanyl-phenylsilyl)oxymethyl]cyclopentan-1-ol?
The InChIKey is FEVMWEFAYSXNMH-YTTLREONSA-N. The full InChI is InChI=1S/C16H26IO2PSi/c1-16(2,3)21(20-17,14-9-5-4-6-10-14)19-12-13-8-7-11-15(13)18/h4-6,9-10,13,15,18,20H,7-8,11-12H2,1-3H3/t13-,15+,21?/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(tert-butyl-iodophosphanyl-phenylsilyl)oxymethyl]cyclopentan-1-ol?
cis-(1R,2S)-2-[(tert-butyl-iodophosphanyl-phenylsilyl)oxymethyl]cyclopentan-1-ol has a molecular weight of 436.35 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(tert-butyl-iodophosphanyl-phenylsilyl)oxymethyl]cyclopentan-1-ol is sourced from PubChem (CID 90087347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).