(1S,4S)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol

C11H18OSi — CID 130831903

IUPAC(1S,4S)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol
SMILESC[Si](C)(C)C#CC[C@@H]1C=C[C@@H](O)C1
InChIInChI=1S/C11H18OSi/c1-13(2,3)8-4-5-10-6-7-11(12)9-10/h6-7,10-12H,5,9H2,1-3H3/t10-,11-/m1/s1
InChIKeyRLUWMFSPVMADJD-GHMZBOCLSA-N
MW194.35 g/mol
LogP2.19
Rot. Bonds1

About (1S,4S)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol

(1S,4S)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol (PubChem CID 130831903) has the molecular formula C11H18OSi and a molecular weight of 194.35 g/mol. Its IUPAC name is (1S,4S)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4S)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol
PubChem CID130831903
Molecular FormulaC11H18OSi
Molecular Weight194.35 g/mol
Exact Mass194.11
IUPAC Name(1S,4S)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol
SMILESC[Si](C)(C)C#CC[C@@H]1C=C[C@@H](O)C1
InChIInChI=1S/C11H18OSi/c1-13(2,3)8-4-5-10-6-7-11(12)9-10/h6-7,10-12H,5,9H2,1-3H3/t10-,11-/m1/s1
InChIKeyRLUWMFSPVMADJD-GHMZBOCLSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(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
(E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol
CID 11674197
(5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol
CID 15721123
(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
(Z,1S)-1-[(1R,2R)-2-prop-1-ynylcyclopent-3-en-1-yl]pent-2-en-1-ol
CID 54762919
1-(4-Hydroxypent-2-ynyl)-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
CID 85618202
(1R,3R)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol
CID 102380786
2-[(3E,5E)-7-hydroxy-3-methylocta-3,5-dien-1-ynyl]-1,1,3-trimethylsilinan-2-ol
CID 134887457
(3R,4S)-4-[(E)-prop-1-enyl]-1-trimethylsilyloct-1-yn-3-ol
CID 134972259

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol?
The IUPAC name of (1S,4S)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol (CID 130831903) is (1S,4S)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4S)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol?
The canonical SMILES for (1S,4S)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol is C[Si](C)(C)C#CC[C@@H]1C=C[C@@H](O)C1.
What is the InChIKey of (1S,4S)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol?
The InChIKey is RLUWMFSPVMADJD-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H18OSi/c1-13(2,3)8-4-5-10-6-7-11(12)9-10/h6-7,10-12H,5,9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of (1S,4S)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol?
(1S,4S)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol has a molecular weight of 194.35 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 130831903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).