tert-butyl-dimethyl-[(4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane

C18H37BO3Si — CID 24754553

IUPACtert-butyl-dimethyl-[(4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane
SMILESC=CC(CCCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H37BO3Si/c1-11-15(19-21-17(5,6)18(7,8)22-19)13-12-14-20-23(9,10)16(2,3)4/h11,15H,1,12-14H2,2-10H3
InChIKeyKGMFRUGVJLDBSK-UHFFFAOYSA-N
MW340.39 g/mol
LogP5.44
Rot. Bonds7

About tert-butyl-dimethyl-[(4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane

tert-butyl-dimethyl-[(4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane (PubChem CID 24754553) has the molecular formula C18H37BO3Si and a molecular weight of 340.39 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane
PubChem CID24754553
Molecular FormulaC18H37BO3Si
Molecular Weight340.39 g/mol
Exact Mass340.26
IUPAC Nametert-butyl-dimethyl-[(4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane
SMILESC=CC(CCCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H37BO3Si/c1-11-15(19-21-17(5,6)18(7,8)22-19)13-12-14-20-23(9,10)16(2,3)4/h11,15H,1,12-14H2,2-10H3
InChIKeyKGMFRUGVJLDBSK-UHFFFAOYSA-N
XLogP5.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.39
LogP ≤ 55.44
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-tert-Butyldimethyl((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-1-yl)oxy)silane
CID 16217344
(E)-tert-Butyldimethyl((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl)oxy)silane
CID 11688192
tert-butyl-dimethyl-[(Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane
CID 9973646
tert-Butyldimethyl((3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-1-yl)oxy)silane
CID 11347477
(E)-Tert-butyldimethyl((5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)pent-4-EN-1-YL)oxy)silane
CID 11851250
tert-butyl-[(E)-4-[dimethyl(propan-2-yloxy)silyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane
CID 24850804
lithium tert-butyl-[(E)-5-(2-tert-butyl-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)pent-4-enoxy]-dimethylsilane
CID 57332414
Tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]silane
CID 101350027
dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-enyl]silane
CID 101499393
dimethyl-propan-2-yloxy-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-2-yl]silane
CID 102088903
dimethyl-propan-2-yloxy-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-2-yl]silane
CID 102088904
dimethyl-propan-2-yloxy-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]silane
CID 102103750

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane (CID 24754553) is tert-butyl-dimethyl-[(4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane is C=CC(CCCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl-dimethyl-[(4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane?
The InChIKey is KGMFRUGVJLDBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37BO3Si/c1-11-15(19-21-17(5,6)18(7,8)22-19)13-12-14-20-23(9,10)16(2,3)4/h11,15H,1,12-14H2,2-10H3.
What are the key properties of tert-butyl-dimethyl-[(4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane?
tert-butyl-dimethyl-[(4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane has a molecular weight of 340.39 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]silane is sourced from PubChem (CID 24754553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).