[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclopentylmethanol

C20H31F3O2Si — CID 58968632

IUPAC[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclopentylmethanol
SMILESCC(C)(C)[Si](C)(C)OCc1cc(C(F)(F)F)ccc1C(O)C1CCCC1
InChIInChI=1S/C20H31F3O2Si/c1-19(2,3)26(4,5)25-13-15-12-16(20(21,22)23)10-11-17(15)18(24)14-8-6-7-9-14/h10-12,14,18,24H,6-9,13H2,1-5H3
InChIKeyQEKBLDKZFGDXAS-UHFFFAOYSA-N
MW388.55 g/mol
LogP6.45
Rot. Bonds5

About [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclopentylmethanol

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclopentylmethanol (PubChem CID 58968632) has the molecular formula C20H31F3O2Si and a molecular weight of 388.55 g/mol. Its IUPAC name is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclopentylmethanol.

Molecular Properties

Compound Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclopentylmethanol
PubChem CID58968632
Molecular FormulaC20H31F3O2Si
Molecular Weight388.55 g/mol
Exact Mass388.20
IUPAC Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclopentylmethanol
SMILESCC(C)(C)[Si](C)(C)OCc1cc(C(F)(F)F)ccc1C(O)C1CCCC1
InChIInChI=1S/C20H31F3O2Si/c1-19(2,3)26(4,5)25-13-15-12-16(20(21,22)23)10-11-17(15)18(24)14-8-6-7-9-14/h10-12,14,18,24H,6-9,13H2,1-5H3
InChIKeyQEKBLDKZFGDXAS-UHFFFAOYSA-N
XLogP6.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclopentylmethanol 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

[2-[[tert-butyl(dimethyl)-λ4-sulfanyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclohexylmethanol
CID 143769479
cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751758
1-[4-bromo-3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 140866774
[2,4-bis(trifluoromethyl)phenyl]-cyclopropylmethanol
CID 139965713
[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-cyclopropylmethanol
CID 57195011
cyclooctyl-[4-(trifluoromethyl)phenyl]methanol
CID 80603410
1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-ol
CID 19981621
7-bicyclo[4.1.0]heptanyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759206
(1R,2S)-2-amino-1-cyclohexyl-2-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol
CID 171271961
[2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol
CID 106634718
(R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171208851
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171229856

Frequently Asked Questions

What is the IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclopentylmethanol?
The IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclopentylmethanol (CID 58968632) is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclopentylmethanol.
What is the SMILES notation for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclopentylmethanol?
The canonical SMILES for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclopentylmethanol is CC(C)(C)[Si](C)(C)OCc1cc(C(F)(F)F)ccc1C(O)C1CCCC1.
What is the InChIKey of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclopentylmethanol?
The InChIKey is QEKBLDKZFGDXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31F3O2Si/c1-19(2,3)26(4,5)25-13-15-12-16(20(21,22)23)10-11-17(15)18(24)14-8-6-7-9-14/h10-12,14,18,24H,6-9,13H2,1-5H3.
What are the key properties of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclopentylmethanol?
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclopentylmethanol has a molecular weight of 388.55 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)phenyl]-cyclopentylmethanol is sourced from PubChem (CID 58968632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).