2-[(E)-1-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C18H34B2O6 — CID 162408317

IUPAC2-[(E)-1-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCO/C(=C/C(C)B1OC(C)(C)C(C)(C)O1)OB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H34B2O6/c1-11-21-14(22-20-25-17(7,8)18(9,10)26-20)12-13(2)19-23-15(3,4)16(5,6)24-19/h12-13H,11H2,1-10H3/b14-12-
InChIKeyOOQPATYDNNCDFJ-OWBHPGMISA-N
MW368.09 g/mol
LogP3.95
Rot. Bonds6

About 2-[(E)-1-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(E)-1-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 162408317) has the molecular formula C18H34B2O6 and a molecular weight of 368.09 g/mol. Its IUPAC name is 2-[(E)-1-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E)-1-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID162408317
Molecular FormulaC18H34B2O6
Molecular Weight368.09 g/mol
Exact Mass368.25
IUPAC Name2-[(E)-1-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCO/C(=C/C(C)B1OC(C)(C)C(C)(C)O1)OB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H34B2O6/c1-11-21-14(22-20-25-17(7,8)18(9,10)26-20)12-13(2)19-23-15(3,4)16(5,6)24-19/h12-13H,11H2,1-10H3/b14-12-
InChIKeyOOQPATYDNNCDFJ-OWBHPGMISA-N
XLogP3.95
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.09
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[(E)-1-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
CID 162409571
ethyl 3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoate
CID 75487151
ethyl (E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enoate
CID 102452476
2-[(2S)-but-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 74787913
ethyl (Z,2S,3S)-3-(dichloromethyl)-2-[2,2-dichloro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-5-ethoxy-5-hydroxypent-4-enoate
CID 175640375
4,4,5,5-tetramethyl-2-[(Z)-pent-3-en-2-yl]-1,3,2-dioxaborolane
CID 57416198
4,4,5,5-tetramethyl-2-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane
CID 163771511
ethyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoate;hydrochloride
CID 155820282
4,4,5,5-tetramethyl-2-[(E)-4-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]oxy-1,3,2-dioxaborolane
CID 177491949
ethyl (E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-2-enoate
CID 102452475
2-butan-2-yloxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 70947330
ethyl 3-(4-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
CID 170816883

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E)-1-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 162408317) is 2-[(E)-1-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E)-1-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E)-1-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCO/C(=C/C(C)B1OC(C)(C)C(C)(C)O1)OB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(E)-1-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is OOQPATYDNNCDFJ-OWBHPGMISA-N. The full InChI is InChI=1S/C18H34B2O6/c1-11-21-14(22-20-25-17(7,8)18(9,10)26-20)12-13(2)19-23-15(3,4)16(5,6)24-19/h12-13H,11H2,1-10H3/b14-12-.
What are the key properties of 2-[(E)-1-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(E)-1-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 368.09 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 162408317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).