(1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol

C16H32O3Si — CID 101115179

IUPAC(1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol
SMILESCC(C)(C)O[C@@H]1C=C[C@](C)(O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-14(2,3)18-12-10-11-16(7,17)13(12)19-20(8,9)15(4,5)6/h10-13,17H,1-9H3/t12-,13+,16+/m1/s1
InChIKeyCZJUVRFGZYXGGO-WWGRRREGSA-N
MW300.52 g/mol
LogP3.88
Rot. Bonds3

About (1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol

(1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol (PubChem CID 101115179) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is (1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol
PubChem CID101115179
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name(1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol
SMILESCC(C)(C)O[C@@H]1C=C[C@](C)(O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-14(2,3)18-12-10-11-16(7,17)13(12)19-20(8,9)15(4,5)6/h10-13,17H,1-9H3/t12-,13+,16+/m1/s1
InChIKeyCZJUVRFGZYXGGO-WWGRRREGSA-N
XLogP3.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 53.88
H-Bond Donors ≤ 51
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,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol?
The IUPAC name of (1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol (CID 101115179) is (1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol?
The canonical SMILES for (1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol is CC(C)(C)O[C@@H]1C=C[C@](C)(O)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol?
The InChIKey is CZJUVRFGZYXGGO-WWGRRREGSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-14(2,3)18-12-10-11-16(7,17)13(12)19-20(8,9)15(4,5)6/h10-13,17H,1-9H3/t12-,13+,16+/m1/s1.
What are the key properties of (1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol?
(1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol has a molecular weight of 300.52 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol is sourced from PubChem (CID 101115179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).