tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane

C18H35BO3Si — CID 102260350

IUPACtert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane
SMILESCC1(C)OB(/C=C/C=C/CCO[Si](C)(C)C(C)(C)C)OC1(C)C
InChIInChI=1S/C18H35BO3Si/c1-16(2,3)23(8,9)20-15-13-11-10-12-14-19-21-17(4,5)18(6,7)22-19/h10-12,14H,13,15H2,1-9H3/b11-10+,14-12+
InChIKeySFQCONTZBIIAGC-CYZWUHAYSA-N
MW338.37 g/mol
LogP5.14
Rot. Bonds6

About tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane

tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane (PubChem CID 102260350) has the molecular formula C18H35BO3Si and a molecular weight of 338.37 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane
PubChem CID102260350
Molecular FormulaC18H35BO3Si
Molecular Weight338.37 g/mol
Exact Mass338.24
IUPAC Nametert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane
SMILESCC1(C)OB(/C=C/C=C/CCO[Si](C)(C)C(C)(C)C)OC1(C)C
InChIInChI=1S/C18H35BO3Si/c1-16(2,3)23(8,9)20-15-13-11-10-12-14-19-21-17(4,5)18(6,7)22-19/h10-12,14H,13,15H2,1-9H3/b11-10+,14-12+
InChIKeySFQCONTZBIIAGC-CYZWUHAYSA-N
XLogP5.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.37
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane
CID 10968526
2-[(1E,3E,5E)-deca-1,3,5-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102349997
2-[(1E,3E)-4-methoxybuta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101232654
2-[(1E,3E,11Z)-icosa-1,3,11-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101160797
tert-butyl-[(Z)-4-[tert-butyl(dimethyl)silyl]but-3-enoxy]-dimethylsilane
CID 11702169
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 11310746
tert-butyl-[(3E,5E,7E)-10-[tert-butyl(dimethyl)silyl]deca-3,5,7-trien-9-ynoxy]-dimethylsilane
CID 101405395
tert-butyl-[(4E,6E,8E)-deca-4,6,8-trienoxy]-dimethylsilane
CID 134860974
4,4,5,5-tetramethyl-2-[(1E,3E)-6-phenylhexa-1,3-dienyl]-1,3,2-dioxaborolane
CID 12023376
tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane
CID 11371613
(5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal
CID 10543017
tert-butyl-[(7Z,9Z,11Z,13Z)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane
CID 101176101

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane (CID 102260350) is tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane is CC1(C)OB(/C=C/C=C/CCO[Si](C)(C)C(C)(C)C)OC1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane?
The InChIKey is SFQCONTZBIIAGC-CYZWUHAYSA-N. The full InChI is InChI=1S/C18H35BO3Si/c1-16(2,3)23(8,9)20-15-13-11-10-12-14-19-21-17(4,5)18(6,7)22-19/h10-12,14H,13,15H2,1-9H3/b11-10+,14-12+.
What are the key properties of tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane?
tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane has a molecular weight of 338.37 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane is sourced from PubChem (CID 102260350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).