(1R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopent-2-en-1-ol

C12H23FO2Si — CID 11276665

IUPAC(1R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C=C(F)[C@H](O)C1
InChIInChI=1S/C12H23FO2Si/c1-12(2,3)16(4,5)15-8-9-6-10(13)11(14)7-9/h6,9,11,14H,7-8H2,1-5H3/t9-,11+/m0/s1
InChIKeyVSFKGEPZJMWROS-GXSJLCMTSA-N
MW246.40 g/mol
LogP3.24
Rot. Bonds3

About (1R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopent-2-en-1-ol

(1R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopent-2-en-1-ol (PubChem CID 11276665) has the molecular formula C12H23FO2Si and a molecular weight of 246.40 g/mol. Its IUPAC name is (1R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopent-2-en-1-ol
PubChem CID11276665
Molecular FormulaC12H23FO2Si
Molecular Weight246.40 g/mol
Exact Mass246.15
IUPAC Name(1R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C=C(F)[C@H](O)C1
InChIInChI=1S/C12H23FO2Si/c1-12(2,3)16(4,5)15-8-9-6-10(13)11(14)7-9/h6,9,11,14H,7-8H2,1-5H3/t9-,11+/m0/s1
InChIKeyVSFKGEPZJMWROS-GXSJLCMTSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
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 (1R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopent-2-en-1-ol?
The IUPAC name of (1R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopent-2-en-1-ol (CID 11276665) is (1R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopent-2-en-1-ol.
What is the SMILES notation for (1R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopent-2-en-1-ol?
The canonical SMILES for (1R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopent-2-en-1-ol is CC(C)(C)[Si](C)(C)OC[C@H]1C=C(F)[C@H](O)C1.
What is the InChIKey of (1R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopent-2-en-1-ol?
The InChIKey is VSFKGEPZJMWROS-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H23FO2Si/c1-12(2,3)16(4,5)15-8-9-6-10(13)11(14)7-9/h6,9,11,14H,7-8H2,1-5H3/t9-,11+/m0/s1.
What are the key properties of (1R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopent-2-en-1-ol?
(1R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopent-2-en-1-ol has a molecular weight of 246.40 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopent-2-en-1-ol is sourced from PubChem (CID 11276665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).