tert-butyl-dimethyl-[(Z,2R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-en-2-yl]oxysilane

C18H37BO3Si — CID 122404223

IUPACtert-butyl-dimethyl-[(Z,2R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-en-2-yl]oxysilane
SMILESC/C(=C\C[C@@H](C)O[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H37BO3Si/c1-14(19-21-17(6,7)18(8,9)22-19)12-13-15(2)20-23(10,11)16(3,4)5/h12,15H,13H2,1-11H3/b14-12+/t15-/m1/s1
InChIKeyPXSPBBYHDUDUCZ-OKFGHLOFSA-N
MW340.39 g/mol
LogP5.36
Rot. Bonds5

About tert-butyl-dimethyl-[(Z,2R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-en-2-yl]oxysilane

tert-butyl-dimethyl-[(Z,2R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-en-2-yl]oxysilane (PubChem CID 122404223) has the molecular formula C18H37BO3Si and a molecular weight of 340.39 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z,2R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z,2R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-en-2-yl]oxysilane
PubChem CID122404223
Molecular FormulaC18H37BO3Si
Molecular Weight340.39 g/mol
Exact Mass340.26
IUPAC Nametert-butyl-dimethyl-[(Z,2R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-en-2-yl]oxysilane
SMILESC/C(=C\C[C@@H](C)O[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H37BO3Si/c1-14(19-21-17(6,7)18(8,9)22-19)12-13-15(2)20-23(10,11)16(3,4)5/h12,15H,13H2,1-11H3/b14-12+/t15-/m1/s1
InChIKeyPXSPBBYHDUDUCZ-OKFGHLOFSA-N
XLogP5.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.39
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-5-en-3-ol
CID 138977970
(E,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7-methylnon-6-en-4-ol
CID 140658624
(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 5371565
tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane
CID 54066938
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 71354514
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 11149233
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
(2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde
CID 11746885
tert-butyl-[(E,2S,3R)-2,5-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-4-enoxy]-dimethylsilane
CID 154719608
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
[(4S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 54768208
tert-butyl-dimethyl-pent-4-yn-2-yloxysilane
CID 588048

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(Z,2R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(Z,2R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-en-2-yl]oxysilane (CID 122404223) is tert-butyl-dimethyl-[(Z,2R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z,2R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(Z,2R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-en-2-yl]oxysilane is C/C(=C\C[C@@H](C)O[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl-dimethyl-[(Z,2R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-en-2-yl]oxysilane?
The InChIKey is PXSPBBYHDUDUCZ-OKFGHLOFSA-N. The full InChI is InChI=1S/C18H37BO3Si/c1-14(19-21-17(6,7)18(8,9)22-19)12-13-15(2)20-23(10,11)16(3,4)5/h12,15H,13H2,1-11H3/b14-12+/t15-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(Z,2R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(Z,2R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-en-2-yl]oxysilane has a molecular weight of 340.39 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z,2R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-en-2-yl]oxysilane is sourced from PubChem (CID 122404223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).