(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-methylcyclopent-2-en-1-ol

C13H26O3Si — CID 102274260

IUPAC(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-methylcyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC=C(CO)[C@]1(C)O
InChIInChI=1S/C13H26O3Si/c1-12(2,3)17(5,6)16-11-8-7-10(9-14)13(11,4)15/h7,11,14-15H,8-9H2,1-6H3/t11-,13-/m0/s1
InChIKeyYWBWISKFRCNJJY-AAEUAGOBSA-N
MW258.43 g/mol
LogP2.45
Rot. Bonds3

About (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-methylcyclopent-2-en-1-ol

(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-methylcyclopent-2-en-1-ol (PubChem CID 102274260) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-methylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-methylcyclopent-2-en-1-ol
PubChem CID102274260
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-methylcyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC=C(CO)[C@]1(C)O
InChIInChI=1S/C13H26O3Si/c1-12(2,3)17(5,6)16-11-8-7-10(9-14)13(11,4)15/h7,11,14-15H,8-9H2,1-6H3/t11-,13-/m0/s1
InChIKeyYWBWISKFRCNJJY-AAEUAGOBSA-N
XLogP2.45
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-methylcyclopent-2-en-1-ol?
The IUPAC name of (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-methylcyclopent-2-en-1-ol (CID 102274260) is (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-methylcyclopent-2-en-1-ol.
What is the SMILES notation for (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-methylcyclopent-2-en-1-ol?
The canonical SMILES for (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-methylcyclopent-2-en-1-ol is CC(C)(C)[Si](C)(C)O[C@H]1CC=C(CO)[C@]1(C)O.
What is the InChIKey of (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-methylcyclopent-2-en-1-ol?
The InChIKey is YWBWISKFRCNJJY-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-12(2,3)17(5,6)16-11-8-7-10(9-14)13(11,4)15/h7,11,14-15H,8-9H2,1-6H3/t11-,13-/m0/s1.
What are the key properties of (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-methylcyclopent-2-en-1-ol?
(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-methylcyclopent-2-en-1-ol has a molecular weight of 258.43 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-methylcyclopent-2-en-1-ol is sourced from PubChem (CID 102274260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).