tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane

C23H32OSi — CID 158022147

IUPACtert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane
SMILESCC1C[C@@H](C)[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C23H32OSi/c1-18-16-19(2)22(17-18)24-25(23(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19,22H,16-17H2,1-5H3/t18?,19-,22-/m1/s1
InChIKeyQUCORQMTHXPRML-IPNFRKERSA-N
MW352.59 g/mol
LogP5.00
Rot. Bonds4

About tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane

tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane (PubChem CID 158022147) has the molecular formula C23H32OSi and a molecular weight of 352.59 g/mol. Its IUPAC name is tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane
PubChem CID158022147
Molecular FormulaC23H32OSi
Molecular Weight352.59 g/mol
Exact Mass352.22
IUPAC Nametert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane
SMILESCC1C[C@@H](C)[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C23H32OSi/c1-18-16-19(2)22(17-18)24-25(23(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19,22H,16-17H2,1-5H3/t18?,19-,22-/m1/s1
InChIKeyQUCORQMTHXPRML-IPNFRKERSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.59
LogP ≤ 55.00
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

4-[tert-butyl(diphenyl)silyl]oxy-2-methylcyclopentan-1-amine
CID 142751894
(1S,2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-1,5-dimethylcyclohexane-1,2-diol
CID 11718250
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 153312960
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
tert-butyl-[[(4R)-3-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]-diphenylsilane
CID 159902587
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
(1R,3aS,4R,5R,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-1,4-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 90681892
1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone
CID 129323384

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane (CID 158022147) is tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane is CC1C[C@@H](C)[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane?
The InChIKey is QUCORQMTHXPRML-IPNFRKERSA-N. The full InChI is InChI=1S/C23H32OSi/c1-18-16-19(2)22(17-18)24-25(23(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19,22H,16-17H2,1-5H3/t18?,19-,22-/m1/s1.
What are the key properties of tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane?
tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane has a molecular weight of 352.59 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane is sourced from PubChem (CID 158022147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).