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

C12H23FO2Si — CID 134895597

IUPAC(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorocyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(F)C=CC(O)C1
InChIInChI=1S/C12H23FO2Si/c1-11(2,3)16(4,5)15-9-12(13)7-6-10(14)8-12/h6-7,10,14H,8-9H2,1-5H3/t10?,12-/m0/s1
InChIKeyVPEBKMWLGMDTLZ-KFJBMODSSA-N
MW246.40 g/mol
LogP3.04
Rot. Bonds3

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

(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorocyclopent-2-en-1-ol (PubChem CID 134895597) has the molecular formula C12H23FO2Si and a molecular weight of 246.40 g/mol. Its IUPAC name is (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorocyclopent-2-en-1-ol.

Molecular Properties

Compound Name(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorocyclopent-2-en-1-ol
PubChem CID134895597
Molecular FormulaC12H23FO2Si
Molecular Weight246.40 g/mol
Exact Mass246.15
IUPAC Name(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorocyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(F)C=CC(O)C1
InChIInChI=1S/C12H23FO2Si/c1-11(2,3)16(4,5)15-9-12(13)7-6-10(14)8-12/h6-7,10,14H,8-9H2,1-5H3/t10?,12-/m0/s1
InChIKeyVPEBKMWLGMDTLZ-KFJBMODSSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclopenten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, cis-
CID 10176747
Rel-(1R,4S)-4-((tert-butyldimethylsilyl)oxy)cyclopent-2-en-1-ol
CID 10910904
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 11020261
(Z)-7-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol
CID 21651787
7-[Dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol
CID 54233189
(1r, 3r)-1-(Tert-butyl-dimethylsiloxy)-3-hydroxy-4-cyclopentene
CID 10878531
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopent-2-en-1-ol
CID 11345217
(E,4S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-2-en-4-ol
CID 11402685
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 15263360
[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-yl]methanol
CID 102247057
4-(t-Butyldimethylsilyloxymethyl)-3,4-dimethyl-cyclo-pent-2-enol
CID 129825837
[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]methanol
CID 135010059

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorocyclopent-2-en-1-ol?
The IUPAC name of (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorocyclopent-2-en-1-ol (CID 134895597) is (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorocyclopent-2-en-1-ol.
What is the SMILES notation for (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorocyclopent-2-en-1-ol?
The canonical SMILES for (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorocyclopent-2-en-1-ol is CC(C)(C)[Si](C)(C)OC[C@]1(F)C=CC(O)C1.
What is the InChIKey of (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorocyclopent-2-en-1-ol?
The InChIKey is VPEBKMWLGMDTLZ-KFJBMODSSA-N. The full InChI is InChI=1S/C12H23FO2Si/c1-11(2,3)16(4,5)15-9-12(13)7-6-10(14)8-12/h6-7,10,14H,8-9H2,1-5H3/t10?,12-/m0/s1.
What are the key properties of (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorocyclopent-2-en-1-ol?
(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorocyclopent-2-en-1-ol has a molecular weight of 246.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorocyclopent-2-en-1-ol is sourced from PubChem (CID 134895597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).