[(E,3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhex-1-enyl]boronic acid

C19H43BO4Si2 — CID 134887511

IUPAC[(E,3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhex-1-enyl]boronic acid
SMILESC[C@H](/C=C/B(O)O)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H43BO4Si2/c1-16(12-14-20(21)22)17(24-26(10,11)19(5,6)7)13-15-23-25(8,9)18(2,3)4/h12,14,16-17,21-22H,13,15H2,1-11H3/b14-12+/t16-,17+/m1/s1
InChIKeyHIIMYWYFAJNLGR-KSUAYFRJSA-N
MW402.53 g/mol
LogP4.99
Rot. Bonds9

About [(E,3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhex-1-enyl]boronic acid

[(E,3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhex-1-enyl]boronic acid (PubChem CID 134887511) has the molecular formula C19H43BO4Si2 and a molecular weight of 402.53 g/mol. Its IUPAC name is [(E,3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhex-1-enyl]boronic acid.

Molecular Properties

Compound Name[(E,3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhex-1-enyl]boronic acid
PubChem CID134887511
Molecular FormulaC19H43BO4Si2
Molecular Weight402.53 g/mol
Exact Mass402.28
IUPAC Name[(E,3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhex-1-enyl]boronic acid
SMILESC[C@H](/C=C/B(O)O)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H43BO4Si2/c1-16(12-14-20(21)22)17(24-26(10,11)19(5,6)7)13-15-23-25(8,9)18(2,3)4/h12,14,16-17,21-22H,13,15H2,1-11H3/b14-12+/t16-,17+/m1/s1
InChIKeyHIIMYWYFAJNLGR-KSUAYFRJSA-N
XLogP4.99
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(Z,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enoxy]-dimethylsilane
CID 177383661
tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane
CID 90919260
(3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile
CID 101210753
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane
CID 11773114
[(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]boronic acid
CID 101128575
(E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol
CID 135045339
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
[(3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-yl] prop-2-enoate
CID 16726241
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine
CID 125493831
tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane
CID 57087962

Frequently Asked Questions

What is the IUPAC name of [(E,3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhex-1-enyl]boronic acid?
The IUPAC name of [(E,3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhex-1-enyl]boronic acid (CID 134887511) is [(E,3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhex-1-enyl]boronic acid.
What is the SMILES notation for [(E,3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhex-1-enyl]boronic acid?
The canonical SMILES for [(E,3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhex-1-enyl]boronic acid is C[C@H](/C=C/B(O)O)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E,3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhex-1-enyl]boronic acid?
The InChIKey is HIIMYWYFAJNLGR-KSUAYFRJSA-N. The full InChI is InChI=1S/C19H43BO4Si2/c1-16(12-14-20(21)22)17(24-26(10,11)19(5,6)7)13-15-23-25(8,9)18(2,3)4/h12,14,16-17,21-22H,13,15H2,1-11H3/b14-12+/t16-,17+/m1/s1.
What are the key properties of [(E,3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhex-1-enyl]boronic acid?
[(E,3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhex-1-enyl]boronic acid has a molecular weight of 402.53 g/mol, XLogP of 4.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhex-1-enyl]boronic acid is sourced from PubChem (CID 134887511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).