4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol

C17H32O2Si2 — CID 86754280

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1C=CC(O)(CC#C[Si](C)(C)C)C1
InChIInChI=1S/C17H32O2Si2/c1-16(2,3)21(7,8)19-15-10-12-17(18,14-15)11-9-13-20(4,5)6/h10,12,15,18H,11,14H2,1-8H3
InChIKeyTYMXLFJIALPLCZ-UHFFFAOYSA-N
MW324.61 g/mol
LogP4.34
Rot. Bonds3

About 4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol

4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol (PubChem CID 86754280) has the molecular formula C17H32O2Si2 and a molecular weight of 324.61 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol
PubChem CID86754280
Molecular FormulaC17H32O2Si2
Molecular Weight324.61 g/mol
Exact Mass324.19
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1C=CC(O)(CC#C[Si](C)(C)C)C1
InChIInChI=1S/C17H32O2Si2/c1-16(2,3)21(7,8)19-15-10-12-17(18,14-15)11-9-13-20(4,5)6/h10,12,15,18H,11,14H2,1-8H3
InChIKeyTYMXLFJIALPLCZ-UHFFFAOYSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.34
H-Bond Donors ≤ 51
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'}

Analyze 4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,3S)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol
CID 11367813
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopent-2-en-1-ol
CID 11345217
9,9-dimethyl-7-triethylsilyloxy-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol
CID 14985556
(1R,4R)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol
CID 17755069
(1R,3R)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol
CID 102380786
2-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]cyclopent-2-en-1-ol
CID 135032019
(1S,4S)-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-ol
CID 138969078
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hexadecylcyclopent-2-en-1-ol
CID 10928304
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hexadecylcyclopent-2-en-1-ol
CID 11102213
2-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-7-triethylsilyloxy-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol
CID 15233711
2,5,5-trimethyl-1-[(E)-3-methyl-5-trimethylsilyloxypent-3-en-1-ynyl]-4-trimethylsilyloxycyclopent-2-en-1-ol
CID 20340080
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-4-ethenyl-4-trimethylsilyloxyoct-1-enyl]cyclopenten-1-ol
CID 22839331

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol (CID 86754280) is 4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol is CC(C)(C)[Si](C)(C)OC1C=CC(O)(CC#C[Si](C)(C)C)C1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol?
The InChIKey is TYMXLFJIALPLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si2/c1-16(2,3)21(7,8)19-15-10-12-17(18,14-15)11-9-13-20(4,5)6/h10,12,15,18H,11,14H2,1-8H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol?
4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol has a molecular weight of 324.61 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 86754280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).