tert-butyl-[(1R,2R)-2-butylcyclopentyl]oxy-dimethylsilane

C15H32OSi — CID 164683902

IUPACtert-butyl-[(1R,2R)-2-butylcyclopentyl]oxy-dimethylsilane
SMILESCCCC[C@@H]1CCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32OSi/c1-7-8-10-13-11-9-12-14(13)16-17(5,6)15(2,3)4/h13-14H,7-12H2,1-6H3/t13-,14-/m1/s1
InChIKeyYHATYQBUTMEIGB-ZIAGYGMSSA-N
MW256.51 g/mol
LogP5.37
Rot. Bonds5

About tert-butyl-[(1R,2R)-2-butylcyclopentyl]oxy-dimethylsilane

tert-butyl-[(1R,2R)-2-butylcyclopentyl]oxy-dimethylsilane (PubChem CID 164683902) has the molecular formula C15H32OSi and a molecular weight of 256.51 g/mol. Its IUPAC name is tert-butyl-[(1R,2R)-2-butylcyclopentyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2R)-2-butylcyclopentyl]oxy-dimethylsilane
PubChem CID164683902
Molecular FormulaC15H32OSi
Molecular Weight256.51 g/mol
Exact Mass256.22
IUPAC Nametert-butyl-[(1R,2R)-2-butylcyclopentyl]oxy-dimethylsilane
SMILESCCCC[C@@H]1CCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32OSi/c1-7-8-10-13-11-9-12-14(13)16-17(5,6)15(2,3)4/h13-14H,7-12H2,1-6H3/t13-,14-/m1/s1
InChIKeyYHATYQBUTMEIGB-ZIAGYGMSSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.51
LogP ≤ 55.37
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

Silane, diethylisohexyloxy(2-octyloxy)-
CID 91698413
Silane, diethyl(2-methylpent-3-yloxy)octyloxy-
CID 91741059
Silane, diethyl(3-methylpent-2-yloxy)octyloxy-
CID 91741079
Silane, diethyl(3-methylpent-2-yloxy)nonyloxy-
CID 91741664
Silane, diethyl(2-methylpent-3-yloxy)nonyloxy-
CID 91741679
Silane, diethyldecyloxy(3-methylpent-2-yloxy)-
CID 91742296
Silane, diethyldecyloxy(2-methylpent-3-yloxy)-
CID 91742313
Silane, diethyl(2-methylpent-3-yloxy)undecyloxy-
CID 91742780
Silane, diethyl(3-methylpent-2-yloxy)undecyloxy-
CID 91742874
Silane, diethyldodecyloxy(2-methylpent-3-yloxy)-
CID 91743320
Silane, diethyldodecyloxy(3-methylpent-2-yloxy)-
CID 91743345
Silane, diethyl(2-methylpent-3-yloxy)tridecyloxy-
CID 91743785

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2R)-2-butylcyclopentyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2R)-2-butylcyclopentyl]oxy-dimethylsilane (CID 164683902) is tert-butyl-[(1R,2R)-2-butylcyclopentyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2R)-2-butylcyclopentyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2R)-2-butylcyclopentyl]oxy-dimethylsilane is CCCC[C@@H]1CCC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R,2R)-2-butylcyclopentyl]oxy-dimethylsilane?
The InChIKey is YHATYQBUTMEIGB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H32OSi/c1-7-8-10-13-11-9-12-14(13)16-17(5,6)15(2,3)4/h13-14H,7-12H2,1-6H3/t13-,14-/m1/s1.
What are the key properties of tert-butyl-[(1R,2R)-2-butylcyclopentyl]oxy-dimethylsilane?
tert-butyl-[(1R,2R)-2-butylcyclopentyl]oxy-dimethylsilane has a molecular weight of 256.51 g/mol, XLogP of 5.37, 5 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-butylcyclopentyl]oxy-dimethylsilane is sourced from PubChem (CID 164683902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).