cis-(3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-fluorophenyl)cyclopentan-1-one

C18H27FO2Si — CID 22959074

IUPACcis-(3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-fluorophenyl)cyclopentan-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC(=O)C[C@H]1c1cccc(F)c1
InChIInChI=1S/C18H27FO2Si/c1-18(2,3)22(4,5)21-12-14-10-16(20)11-17(14)13-7-6-8-15(19)9-13/h6-9,14,17H,10-12H2,1-5H3/t14-,17-/m0/s1
InChIKeyPBUYACOKCAFABX-YOEHRIQHSA-N
MW322.50 g/mol
LogP4.91
Rot. Bonds4

About cis-(3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-fluorophenyl)cyclopentan-1-one

cis-(3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-fluorophenyl)cyclopentan-1-one (PubChem CID 22959074) has the molecular formula C18H27FO2Si and a molecular weight of 322.50 g/mol. Its IUPAC name is cis-(3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-fluorophenyl)cyclopentan-1-one.

Molecular Properties

Compound Namecis-(3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-fluorophenyl)cyclopentan-1-one
PubChem CID22959074
Molecular FormulaC18H27FO2Si
Molecular Weight322.50 g/mol
Exact Mass322.18
IUPAC Namecis-(3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-fluorophenyl)cyclopentan-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC(=O)C[C@H]1c1cccc(F)c1
InChIInChI=1S/C18H27FO2Si/c1-18(2,3)22(4,5)21-12-14-10-16(20)11-17(14)13-7-6-8-15(19)9-13/h6-9,14,17H,10-12H2,1-5H3/t14-,17-/m0/s1
InChIKeyPBUYACOKCAFABX-YOEHRIQHSA-N
XLogP4.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-fluorophenyl)cyclopentan-1-one?
The IUPAC name of cis-(3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-fluorophenyl)cyclopentan-1-one (CID 22959074) is cis-(3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-fluorophenyl)cyclopentan-1-one.
What is the SMILES notation for cis-(3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-fluorophenyl)cyclopentan-1-one?
The canonical SMILES for cis-(3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-fluorophenyl)cyclopentan-1-one is CC(C)(C)[Si](C)(C)OC[C@@H]1CC(=O)C[C@H]1c1cccc(F)c1.
What is the InChIKey of cis-(3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-fluorophenyl)cyclopentan-1-one?
The InChIKey is PBUYACOKCAFABX-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H27FO2Si/c1-18(2,3)22(4,5)21-12-14-10-16(20)11-17(14)13-7-6-8-15(19)9-13/h6-9,14,17H,10-12H2,1-5H3/t14-,17-/m0/s1.
What are the key properties of cis-(3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-fluorophenyl)cyclopentan-1-one?
cis-(3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-fluorophenyl)cyclopentan-1-one has a molecular weight of 322.50 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-fluorophenyl)cyclopentan-1-one is sourced from PubChem (CID 22959074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).