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

C17H34O3Si — CID 101115180

IUPAC(1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-ethyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol
SMILESCC[C@]1(O)C=C[C@@H](OC(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-10-17(18)12-11-13(19-15(2,3)4)14(17)20-21(8,9)16(5,6)7/h11-14,18H,10H2,1-9H3/t13-,14+,17+/m1/s1
InChIKeyGIFPSZHOXSTKKM-KEYYUXOJSA-N
MW314.54 g/mol
LogP4.27
Rot. Bonds4

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

(1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-ethyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol (PubChem CID 101115180) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-ethyl-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-ethyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol
PubChem CID101115180
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-ethyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol
SMILESCC[C@]1(O)C=C[C@@H](OC(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-10-17(18)12-11-13(19-15(2,3)4)14(17)20-21(8,9)16(5,6)7/h11-14,18H,10H2,1-9H3/t13-,14+,17+/m1/s1
InChIKeyGIFPSZHOXSTKKM-KEYYUXOJSA-N
XLogP4.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.27
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-ethyl-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-ethyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol (CID 101115180) is (1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-ethyl-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-ethyl-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-ethyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol is CC[C@]1(O)C=C[C@@H](OC(C)(C)C)[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-ethyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol?
The InChIKey is GIFPSZHOXSTKKM-KEYYUXOJSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-10-17(18)12-11-13(19-15(2,3)4)14(17)20-21(8,9)16(5,6)7/h11-14,18H,10H2,1-9H3/t13-,14+,17+/m1/s1.
What are the key properties of (1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-ethyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol?
(1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-ethyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol has a molecular weight of 314.54 g/mol, XLogP of 4.27, 4 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-ethyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol is sourced from PubChem (CID 101115180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).