(1R,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-(hydroxymethyl)-5-methylcyclopentan-1-ol

C15H30O3Si — CID 139039343

IUPAC(1R,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-(hydroxymethyl)-5-methylcyclopentan-1-ol
SMILESC=C[C@H]1[C@H](O)[C@@H](C)C[C@@]1(CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-8-12-13(17)11(2)9-15(12,10-16)18-19(6,7)14(3,4)5/h8,11-13,16-17H,1,9-10H2,2-7H3/t11-,12-,13+,15-/m0/s1
InChIKeyZRHFDXRYBLVBQR-XPCVCDNBSA-N
MW286.49 g/mol
LogP2.94
Rot. Bonds4

About (1R,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-(hydroxymethyl)-5-methylcyclopentan-1-ol

(1R,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-(hydroxymethyl)-5-methylcyclopentan-1-ol (PubChem CID 139039343) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is (1R,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-(hydroxymethyl)-5-methylcyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-(hydroxymethyl)-5-methylcyclopentan-1-ol
PubChem CID139039343
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name(1R,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-(hydroxymethyl)-5-methylcyclopentan-1-ol
SMILESC=C[C@H]1[C@H](O)[C@@H](C)C[C@@]1(CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-8-12-13(17)11(2)9-15(12,10-16)18-19(6,7)14(3,4)5/h8,11-13,16-17H,1,9-10H2,2-7H3/t11-,12-,13+,15-/m0/s1
InChIKeyZRHFDXRYBLVBQR-XPCVCDNBSA-N
XLogP2.94
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 52.94
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 (1R,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-(hydroxymethyl)-5-methylcyclopentan-1-ol?
The IUPAC name of (1R,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-(hydroxymethyl)-5-methylcyclopentan-1-ol (CID 139039343) is (1R,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-(hydroxymethyl)-5-methylcyclopentan-1-ol.
What is the SMILES notation for (1R,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-(hydroxymethyl)-5-methylcyclopentan-1-ol?
The canonical SMILES for (1R,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-(hydroxymethyl)-5-methylcyclopentan-1-ol is C=C[C@H]1[C@H](O)[C@@H](C)C[C@@]1(CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-(hydroxymethyl)-5-methylcyclopentan-1-ol?
The InChIKey is ZRHFDXRYBLVBQR-XPCVCDNBSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-8-12-13(17)11(2)9-15(12,10-16)18-19(6,7)14(3,4)5/h8,11-13,16-17H,1,9-10H2,2-7H3/t11-,12-,13+,15-/m0/s1.
What are the key properties of (1R,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-(hydroxymethyl)-5-methylcyclopentan-1-ol?
(1R,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-(hydroxymethyl)-5-methylcyclopentan-1-ol has a molecular weight of 286.49 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-(hydroxymethyl)-5-methylcyclopentan-1-ol is sourced from PubChem (CID 139039343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).