(1R,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentan-1-ol

C12H26O3Si — CID 101470587

IUPAC(1R,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CO)[C@H](O)C1
InChIInChI=1S/C12H26O3Si/c1-12(2,3)16(4,5)15-10-6-9(8-13)11(14)7-10/h9-11,13-14H,6-8H2,1-5H3/t9-,10+,11+/m0/s1
InChIKeyOHNBJXHCVWEPQX-HBNTYKKESA-N
MW246.42 g/mol
LogP2.14
Rot. Bonds3

About (1R,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentan-1-ol

(1R,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 101470587) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is (1R,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentan-1-ol
PubChem CID101470587
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name(1R,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CO)[C@H](O)C1
InChIInChI=1S/C12H26O3Si/c1-12(2,3)16(4,5)15-10-6-9(8-13)11(14)7-10/h9-11,13-14H,6-8H2,1-5H3/t9-,10+,11+/m0/s1
InChIKeyOHNBJXHCVWEPQX-HBNTYKKESA-N
XLogP2.14
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentan-1-ol
CID 134934271
cis-(1S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentan-1-ol
CID 134986131
trans-2-(t-Butyldimethylsilyloxymethyl)cyclopentanol
CID 11053444
((1S,3S,4S)-3-(tert-butyldimethylsilyloxy)-4-fluorocyclopentyl)methanol
CID 67190388
(1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-(hydroxymethyl)cyclopentan-1-ol
CID 156903573
[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 25149731
[(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentyl]methanol
CID 134895234
(2S,3R,4R,5S)-2,4-dimethyl-5-triethylsilyloxyhexane-1,3-diol
CID 134970636
2-Ethyl-4-methyl-3-tri(propan-2-yl)silyloxycyclopentan-1-ol
CID 135042289
trans-(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentan-1-ol
CID 11207405
[rel-(1R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-cyclopentyl]methanol
CID 77237685
Rel-((1R,3R,4R)-3-((tert-butyldimethylsilyl)oxy)-4-fluorocyclopentyl)methanol
CID 155905400

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of (1R,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentan-1-ol (CID 101470587) is (1R,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (1R,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for (1R,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentan-1-ol is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CO)[C@H](O)C1.
What is the InChIKey of (1R,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is OHNBJXHCVWEPQX-HBNTYKKESA-N. The full InChI is InChI=1S/C12H26O3Si/c1-12(2,3)16(4,5)15-10-6-9(8-13)11(14)7-10/h9-11,13-14H,6-8H2,1-5H3/t9-,10+,11+/m0/s1.
What are the key properties of (1R,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentan-1-ol?
(1R,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 246.42 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 101470587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).