tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane

C19H38OSi — CID 59678391

IUPACtert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane
SMILESC=C(C1C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)C(C)(C)C
InChIInChI=1S/C19H38OSi/c1-13-12-16(15(3)18(4,5)6)14(2)17(13)20-21(10,11)19(7,8)9/h13-14,16-17H,3,12H2,1-2,4-11H3/t13-,14-,16?,17-/m0/s1
InChIKeyJTZCFQDPJADZEQ-KHFHPKRRSA-N
MW310.60 g/mol
LogP6.27
Rot. Bonds3

About tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane

tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane (PubChem CID 59678391) has the molecular formula C19H38OSi and a molecular weight of 310.60 g/mol. Its IUPAC name is tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane
PubChem CID59678391
Molecular FormulaC19H38OSi
Molecular Weight310.60 g/mol
Exact Mass310.27
IUPAC Nametert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane
SMILESC=C(C1C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)C(C)(C)C
InChIInChI=1S/C19H38OSi/c1-13-12-16(15(3)18(4,5)6)14(2)17(13)20-21(10,11)19(7,8)9/h13-14,16-17H,3,12H2,1-2,4-11H3/t13-,14-,16?,17-/m0/s1
InChIKeyJTZCFQDPJADZEQ-KHFHPKRRSA-N
XLogP6.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.60
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane (CID 59678391) is tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane is C=C(C1C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane?
The InChIKey is JTZCFQDPJADZEQ-KHFHPKRRSA-N. The full InChI is InChI=1S/C19H38OSi/c1-13-12-16(15(3)18(4,5)6)14(2)17(13)20-21(10,11)19(7,8)9/h13-14,16-17H,3,12H2,1-2,4-11H3/t13-,14-,16?,17-/m0/s1.
What are the key properties of tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane?
tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane has a molecular weight of 310.60 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane is sourced from PubChem (CID 59678391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).