tert-butyl-[(1R,2S)-2-(4-chloro-2-methylphenyl)cyclopentyl]oxy-dimethylsilane

C18H29ClOSi — CID 132967122

IUPACtert-butyl-[(1R,2S)-2-(4-chloro-2-methylphenyl)cyclopentyl]oxy-dimethylsilane
SMILESCc1cc(Cl)ccc1[C@@H]1CCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H29ClOSi/c1-13-12-14(19)10-11-15(13)16-8-7-9-17(16)20-21(5,6)18(2,3)4/h10-12,16-17H,7-9H2,1-6H3/t16-,17+/m0/s1
InChIKeyGJMWGXZYTCCFKE-DLBZAZTESA-N
MW324.97 g/mol
LogP6.31
Rot. Bonds3

About tert-butyl-[(1R,2S)-2-(4-chloro-2-methylphenyl)cyclopentyl]oxy-dimethylsilane

tert-butyl-[(1R,2S)-2-(4-chloro-2-methylphenyl)cyclopentyl]oxy-dimethylsilane (PubChem CID 132967122) has the molecular formula C18H29ClOSi and a molecular weight of 324.97 g/mol. Its IUPAC name is tert-butyl-[(1R,2S)-2-(4-chloro-2-methylphenyl)cyclopentyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2S)-2-(4-chloro-2-methylphenyl)cyclopentyl]oxy-dimethylsilane
PubChem CID132967122
Molecular FormulaC18H29ClOSi
Molecular Weight324.97 g/mol
Exact Mass324.17
IUPAC Nametert-butyl-[(1R,2S)-2-(4-chloro-2-methylphenyl)cyclopentyl]oxy-dimethylsilane
SMILESCc1cc(Cl)ccc1[C@@H]1CCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H29ClOSi/c1-13-12-14(19)10-11-15(13)16-8-7-9-17(16)20-21(5,6)18(2,3)4/h10-12,16-17H,7-9H2,1-6H3/t16-,17+/m0/s1
InChIKeyGJMWGXZYTCCFKE-DLBZAZTESA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.97
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-[1-(4-chlorophenyl)but-3-enoxy]-dimethylsilane
CID 89510156
tert-butyl-[(1R,2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]cyclopentyl]oxy-dimethylsilane
CID 132967121
Tert-butyl-[2-(3-chloro-4-fluorophenyl)pent-4-enoxy]-dimethylsilane
CID 68294181
tert-butyl-[(3S)-3-(4-chloro-3-fluorophenyl)butoxy]-dimethylsilane
CID 89817379
tert-butyl-[(2R)-2-(4-chloro-3-fluorophenyl)propoxy]-dimethylsilane
CID 147593706
2-[[3-Chloro-2-fluoro-6-(2-methylpropyl)phenyl]methyl]oxolane
CID 170062784
Tert-butyl-[2-(5-chloro-2-ethylphenyl)-2-fluoroethoxy]-dimethylsilane
CID 173825439
3-Chlorophenethyl alcohol, tert-butyldimethylsilyl ether
CID 89922151
4-Chlorophenethyl alcohol, tert-butyldimethylsilyl ether
CID 91734632
[(Z,1R)-2-butyl-1-(4-chlorophenyl)hex-2-enoxy]-triethylsilane
CID 11234375
[1-(4-Chlorophenyl)-2-methylideneoctoxy]-triethylsilane
CID 72724101
[3-(4-Chlorophenyl)cyclobuten-1-yl]oxy-triethylsilane
CID 85361935

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2S)-2-(4-chloro-2-methylphenyl)cyclopentyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2S)-2-(4-chloro-2-methylphenyl)cyclopentyl]oxy-dimethylsilane (CID 132967122) is tert-butyl-[(1R,2S)-2-(4-chloro-2-methylphenyl)cyclopentyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2S)-2-(4-chloro-2-methylphenyl)cyclopentyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2S)-2-(4-chloro-2-methylphenyl)cyclopentyl]oxy-dimethylsilane is Cc1cc(Cl)ccc1[C@@H]1CCC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R,2S)-2-(4-chloro-2-methylphenyl)cyclopentyl]oxy-dimethylsilane?
The InChIKey is GJMWGXZYTCCFKE-DLBZAZTESA-N. The full InChI is InChI=1S/C18H29ClOSi/c1-13-12-14(19)10-11-15(13)16-8-7-9-17(16)20-21(5,6)18(2,3)4/h10-12,16-17H,7-9H2,1-6H3/t16-,17+/m0/s1.
What are the key properties of tert-butyl-[(1R,2S)-2-(4-chloro-2-methylphenyl)cyclopentyl]oxy-dimethylsilane?
tert-butyl-[(1R,2S)-2-(4-chloro-2-methylphenyl)cyclopentyl]oxy-dimethylsilane has a molecular weight of 324.97 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2S)-2-(4-chloro-2-methylphenyl)cyclopentyl]oxy-dimethylsilane is sourced from PubChem (CID 132967122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).