tert-butyl-[(1S,2R,5S)-2-ethenyl-5-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]cyclopentyl]oxy-dimethylsilane

C22H41BO3Si — CID 11749685

IUPACtert-butyl-[(1S,2R,5S)-2-ethenyl-5-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]cyclopentyl]oxy-dimethylsilane
SMILESC=C[C@H]1CC[C@@H](/C=C/CB2OC(C)(C)C(C)(C)O2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H41BO3Si/c1-11-17-14-15-18(19(17)24-27(9,10)20(2,3)4)13-12-16-23-25-21(5,6)22(7,8)26-23/h11-13,17-19H,1,14-16H2,2-10H3/b13-12+/t17-,18+,19-/m0/s1
InChIKeyIINGZIDPXRUFRU-BATDUODBSA-N
MW392.47 g/mol
LogP6.24
Rot. Bonds6

About tert-butyl-[(1S,2R,5S)-2-ethenyl-5-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]cyclopentyl]oxy-dimethylsilane

tert-butyl-[(1S,2R,5S)-2-ethenyl-5-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]cyclopentyl]oxy-dimethylsilane (PubChem CID 11749685) has the molecular formula C22H41BO3Si and a molecular weight of 392.47 g/mol. Its IUPAC name is tert-butyl-[(1S,2R,5S)-2-ethenyl-5-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]cyclopentyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2R,5S)-2-ethenyl-5-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]cyclopentyl]oxy-dimethylsilane
PubChem CID11749685
Molecular FormulaC22H41BO3Si
Molecular Weight392.47 g/mol
Exact Mass392.29
IUPAC Nametert-butyl-[(1S,2R,5S)-2-ethenyl-5-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]cyclopentyl]oxy-dimethylsilane
SMILESC=C[C@H]1CC[C@@H](/C=C/CB2OC(C)(C)C(C)(C)O2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H41BO3Si/c1-11-17-14-15-18(19(17)24-27(9,10)20(2,3)4)13-12-16-23-25-21(5,6)22(7,8)26-23/h11-13,17-19H,1,14-16H2,2-10H3/b13-12+/t17-,18+,19-/m0/s1
InChIKeyIINGZIDPXRUFRU-BATDUODBSA-N
XLogP6.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,2R,5S)-2-ethenyl-5-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]cyclopentyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,2R,5S)-2-ethenyl-5-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]cyclopentyl]oxy-dimethylsilane (CID 11749685) is tert-butyl-[(1S,2R,5S)-2-ethenyl-5-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]cyclopentyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2R,5S)-2-ethenyl-5-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]cyclopentyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2R,5S)-2-ethenyl-5-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]cyclopentyl]oxy-dimethylsilane is C=C[C@H]1CC[C@@H](/C=C/CB2OC(C)(C)C(C)(C)O2)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,2R,5S)-2-ethenyl-5-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]cyclopentyl]oxy-dimethylsilane?
The InChIKey is IINGZIDPXRUFRU-BATDUODBSA-N. The full InChI is InChI=1S/C22H41BO3Si/c1-11-17-14-15-18(19(17)24-27(9,10)20(2,3)4)13-12-16-23-25-21(5,6)22(7,8)26-23/h11-13,17-19H,1,14-16H2,2-10H3/b13-12+/t17-,18+,19-/m0/s1.
What are the key properties of tert-butyl-[(1S,2R,5S)-2-ethenyl-5-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]cyclopentyl]oxy-dimethylsilane?
tert-butyl-[(1S,2R,5S)-2-ethenyl-5-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]cyclopentyl]oxy-dimethylsilane has a molecular weight of 392.47 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,2R,5S)-2-ethenyl-5-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]cyclopentyl]oxy-dimethylsilane is sourced from PubChem (CID 11749685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).