2-[(1S,4R)-1-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]ethanol

C15H26OSi — CID 10901074

IUPAC2-[(1S,4R)-1-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]ethanol
SMILESC[C@]1(CCO)C=C[C@H](CCC#C[Si](C)(C)C)C1
InChIInChI=1S/C15H26OSi/c1-15(10-11-16)9-8-14(13-15)7-5-6-12-17(2,3)4/h8-9,14,16H,5,7,10-11,13H2,1-4H3/t14-,15+/m0/s1
InChIKeyAQYUECIUWSEWCG-LSDHHAIUSA-N
MW250.46 g/mol
LogP3.61
Rot. Bonds4

About 2-[(1S,4R)-1-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]ethanol

2-[(1S,4R)-1-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]ethanol (PubChem CID 10901074) has the molecular formula C15H26OSi and a molecular weight of 250.46 g/mol. Its IUPAC name is 2-[(1S,4R)-1-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]ethanol.

Molecular Properties

Compound Name2-[(1S,4R)-1-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]ethanol
PubChem CID10901074
Molecular FormulaC15H26OSi
Molecular Weight250.46 g/mol
Exact Mass250.18
IUPAC Name2-[(1S,4R)-1-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]ethanol
SMILESC[C@]1(CCO)C=C[C@H](CCC#C[Si](C)(C)C)C1
InChIInChI=1S/C15H26OSi/c1-15(10-11-16)9-8-14(13-15)7-5-6-12-17(2,3)4/h8-9,14,16H,5,7,10-11,13H2,1-4H3/t14-,15+/m0/s1
InChIKeyAQYUECIUWSEWCG-LSDHHAIUSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.46
LogP ≤ 53.61
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'}

Analyze 2-[(1S,4R)-1-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

(E,2S)-2-pent-4-enyl-2-(2-trimethylsilylethynyl)oct-6-en-1-ol
CID 53493823
(4R,6S)-3,3,6,10-tetramethyl-1-trimethylsilylundec-9-en-1-yn-4-ol
CID 134967878
3-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol
CID 134980037
[(1R,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]methanol
CID 134980523
2-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol
CID 134980823
3-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol
CID 134991252
1-(2-Methyl-3-methylidene-2-bicyclo[2.2.1]hept-5-enyl)-3-trimethylsilylprop-2-yn-1-ol
CID 89904521
1-[(1R,2R,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]hept-5-enyl]-3-trimethylsilylprop-2-yn-1-ol
CID 89911524
[(1S,4S,6R)-4,6-dimethyl-6-(2-triethylsilylethynyl)cyclohex-2-en-1-yl]methanol
CID 90075418
3-[(1R)-1-methyl-3-propan-2-yl-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-yl]propan-1-ol
CID 101746300

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4R)-1-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]ethanol?
The IUPAC name of 2-[(1S,4R)-1-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]ethanol (CID 10901074) is 2-[(1S,4R)-1-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]ethanol.
What is the SMILES notation for 2-[(1S,4R)-1-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]ethanol?
The canonical SMILES for 2-[(1S,4R)-1-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]ethanol is C[C@]1(CCO)C=C[C@H](CCC#C[Si](C)(C)C)C1.
What is the InChIKey of 2-[(1S,4R)-1-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]ethanol?
The InChIKey is AQYUECIUWSEWCG-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H26OSi/c1-15(10-11-16)9-8-14(13-15)7-5-6-12-17(2,3)4/h8-9,14,16H,5,7,10-11,13H2,1-4H3/t14-,15+/m0/s1.
What are the key properties of 2-[(1S,4R)-1-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]ethanol?
2-[(1S,4R)-1-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]ethanol has a molecular weight of 250.46 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4R)-1-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]ethanol is sourced from PubChem (CID 10901074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).