(1R,3R)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol

C11H18O2Si — CID 102380786

IUPAC(1R,3R)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol
SMILESC[Si](C)(C)C#CC[C@]1(O)C=C[C@H](O)C1
InChIInChI=1S/C11H18O2Si/c1-14(2,3)8-4-6-11(13)7-5-10(12)9-11/h5,7,10,12-13H,6,9H2,1-3H3/t10-,11-/m0/s1
InChIKeyJXCQZELQGQODLW-QWRGUYRKSA-N
MW210.35 g/mol
LogP1.31
Rot. Bonds1

About (1R,3R)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol

(1R,3R)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol (PubChem CID 102380786) has the molecular formula C11H18O2Si and a molecular weight of 210.35 g/mol. Its IUPAC name is (1R,3R)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol.

Molecular Properties

Compound Name(1R,3R)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol
PubChem CID102380786
Molecular FormulaC11H18O2Si
Molecular Weight210.35 g/mol
Exact Mass210.11
IUPAC Name(1R,3R)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol
SMILESC[Si](C)(C)C#CC[C@]1(O)C=C[C@H](O)C1
InChIInChI=1S/C11H18O2Si/c1-14(2,3)8-4-6-11(13)7-5-10(12)9-11/h5,7,10,12-13H,6,9H2,1-3H3/t10-,11-/m0/s1
InChIKeyJXCQZELQGQODLW-QWRGUYRKSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10682670
(1R,3S)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol
CID 11367813
(Z,3S,5S,8R)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10706388
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopent-2-en-1-ol
CID 11345217
(1R,4R)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol
CID 17755069
(E,3S,5R)-1-cyclopropyl-5-methyl-7-trimethylsilylhept-1-en-6-yne-3,5-diol
CID 50901420
1-(4-Hydroxypent-2-ynyl)-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
CID 85618202
4-[Tert-butyl(dimethyl)silyl]oxy-1,2,5-trimethylcyclopent-2-en-1-ol
CID 138970503
1-(3-Trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol
CID 11252554
(1RS,4RS)-3-ethyl-4-methyl-4-hydroxy-2-cyclopenten-1-yl (t-butyldimethylsilyl) ether
CID 57032808
(1RS,4RS)-3-allyl-4-methyl-4-hydroxy-2-cyclopenten-1-yl (t-butyldimethylsilyl) ether
CID 57153596
(1RS,4RS)-4-allyl-4-hydroxy-2-cyclopenten-1-yl (t-butyldimethylsilyl) ether
CID 57172708

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol?
The IUPAC name of (1R,3R)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol (CID 102380786) is (1R,3R)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol.
What is the SMILES notation for (1R,3R)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol?
The canonical SMILES for (1R,3R)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol is C[Si](C)(C)C#CC[C@]1(O)C=C[C@H](O)C1.
What is the InChIKey of (1R,3R)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol?
The InChIKey is JXCQZELQGQODLW-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H18O2Si/c1-14(2,3)8-4-6-11(13)7-5-10(12)9-11/h5,7,10,12-13H,6,9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (1R,3R)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol?
(1R,3R)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol has a molecular weight of 210.35 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol is sourced from PubChem (CID 102380786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).