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

C14H24O2Si — CID 11791693

IUPAC(1S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
SMILESCC(C)(C)O[C@H]1C=C(C#C[Si](C)(C)C)[C@@H](O)C1
InChIInChI=1S/C14H24O2Si/c1-14(2,3)16-12-9-11(13(15)10-12)7-8-17(4,5)6/h9,12-13,15H,10H2,1-6H3/t12-,13-/m0/s1
InChIKeyFQTNTGFDNZNEFI-STQMWFEESA-N
MW252.43 g/mol
LogP2.74
Rot. Bonds1

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

(1S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol (PubChem CID 11791693) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is (1S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
PubChem CID11791693
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name(1S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
SMILESCC(C)(C)O[C@H]1C=C(C#C[Si](C)(C)C)[C@@H](O)C1
InChIInChI=1S/C14H24O2Si/c1-14(2,3)16-12-9-11(13(15)10-12)7-8-17(4,5)6/h9,12-13,15H,10H2,1-6H3/t12-,13-/m0/s1
InChIKeyFQTNTGFDNZNEFI-STQMWFEESA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(R)-2-((Trimethylsilyl)ethynyl)cyclopent-2-en-1-ol
CID 10932039
(1R,3S)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol
CID 11367813
(1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol
CID 11459757
(1R,3R)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol
CID 102380786
3-((Trimethylsilyl)ethynyl)cyclopent-2-en-1-ol
CID 85898751
(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)-15-[tert-butyl(dimethyl)silyl]oxy-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol
CID 139616253
(1S)-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
CID 10921135
2-(2-Trimethylsilylethynyl)cyclopent-2-en-1-ol
CID 10986891
3-[2-Tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol
CID 11288543
[(E,6R)-6-hydroxy-3-methyl-8-trimethylsilyloct-2-en-7-ynyl] acetate
CID 44185192
4-Cyclopentene-1,3-diol, 1-[3-(trimethylsilyl)-2-propynyl]-
CID 45093169

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol?
The IUPAC name of (1S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol (CID 11791693) is (1S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol?
The canonical SMILES for (1S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol is CC(C)(C)O[C@H]1C=C(C#C[Si](C)(C)C)[C@@H](O)C1.
What is the InChIKey of (1S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol?
The InChIKey is FQTNTGFDNZNEFI-STQMWFEESA-N. The full InChI is InChI=1S/C14H24O2Si/c1-14(2,3)16-12-9-11(13(15)10-12)7-8-17(4,5)6/h9,12-13,15H,10H2,1-6H3/t12-,13-/m0/s1.
What are the key properties of (1S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol?
(1S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol has a molecular weight of 252.43 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 11791693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).