(1R,4R,5S)-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethynyl)-5-trimethylsilyloxycyclopent-2-en-1-ol

C17H32O3Si2 — CID 101115183

IUPAC(1R,4R,5S)-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethynyl)-5-trimethylsilyloxycyclopent-2-en-1-ol
SMILESCC(C)(C)O[C@@H]1C=C[C@@](O)(C#C[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C17H32O3Si2/c1-16(2,3)19-14-10-11-17(18,12-13-21(4,5)6)15(14)20-22(7,8)9/h10-11,14-15,18H,1-9H3/t14-,15+,17-/m1/s1
InChIKeyCTLNDYSTVZSWRU-HLLBOEOZSA-N
MW340.61 g/mol
LogP3.57
Rot. Bonds3

About (1R,4R,5S)-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethynyl)-5-trimethylsilyloxycyclopent-2-en-1-ol

(1R,4R,5S)-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethynyl)-5-trimethylsilyloxycyclopent-2-en-1-ol (PubChem CID 101115183) has the molecular formula C17H32O3Si2 and a molecular weight of 340.61 g/mol. Its IUPAC name is (1R,4R,5S)-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethynyl)-5-trimethylsilyloxycyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R,5S)-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethynyl)-5-trimethylsilyloxycyclopent-2-en-1-ol
PubChem CID101115183
Molecular FormulaC17H32O3Si2
Molecular Weight340.61 g/mol
Exact Mass340.19
IUPAC Name(1R,4R,5S)-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethynyl)-5-trimethylsilyloxycyclopent-2-en-1-ol
SMILESCC(C)(C)O[C@@H]1C=C[C@@](O)(C#C[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C17H32O3Si2/c1-16(2,3)19-14-10-11-17(18,12-13-21(4,5)6)15(14)20-22(7,8)9/h10-11,14-15,18H,1-9H3/t14-,15+,17-/m1/s1
InChIKeyCTLNDYSTVZSWRU-HLLBOEOZSA-N
XLogP3.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 53.57
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-ol
CID 15609446
tert-butyl-dimethyl-[(1R,4S)-4-[(2-methylpropan-2-yl)oxymethyl]-4-prop-2-ynoxycyclopent-2-en-1-yl]oxysilane
CID 15609449
5-[Tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol
CID 72957418
(8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol
CID 139616238
(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol
CID 139616250
(8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol
CID 139616253
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol
CID 11427375
(1S)-1-[(2S,5R)-5-[5-tri(propan-2-yl)silylpent-4-ynyl]-2,5-dihydrofuran-2-yl]prop-2-en-1-ol
CID 11717248
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-ol
CID 15609445
(E)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]oct-2-en-7-yn-1-ol
CID 53465581
(1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol
CID 101115179
(1S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-ethyl-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ol
CID 101115180

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5S)-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethynyl)-5-trimethylsilyloxycyclopent-2-en-1-ol?
The IUPAC name of (1R,4R,5S)-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethynyl)-5-trimethylsilyloxycyclopent-2-en-1-ol (CID 101115183) is (1R,4R,5S)-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethynyl)-5-trimethylsilyloxycyclopent-2-en-1-ol.
What is the SMILES notation for (1R,4R,5S)-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethynyl)-5-trimethylsilyloxycyclopent-2-en-1-ol?
The canonical SMILES for (1R,4R,5S)-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethynyl)-5-trimethylsilyloxycyclopent-2-en-1-ol is CC(C)(C)O[C@@H]1C=C[C@@](O)(C#C[Si](C)(C)C)[C@H]1O[Si](C)(C)C.
What is the InChIKey of (1R,4R,5S)-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethynyl)-5-trimethylsilyloxycyclopent-2-en-1-ol?
The InChIKey is CTLNDYSTVZSWRU-HLLBOEOZSA-N. The full InChI is InChI=1S/C17H32O3Si2/c1-16(2,3)19-14-10-11-17(18,12-13-21(4,5)6)15(14)20-22(7,8)9/h10-11,14-15,18H,1-9H3/t14-,15+,17-/m1/s1.
What are the key properties of (1R,4R,5S)-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethynyl)-5-trimethylsilyloxycyclopent-2-en-1-ol?
(1R,4R,5S)-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethynyl)-5-trimethylsilyloxycyclopent-2-en-1-ol has a molecular weight of 340.61 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5S)-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethynyl)-5-trimethylsilyloxycyclopent-2-en-1-ol is sourced from PubChem (CID 101115183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).