4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane

C27H54B4O8 — CID 164967588

IUPAC4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane
SMILESCC(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1.CC1(C)OB(CB2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C14H28B2O4.C13H26B2O4/c1-10(15-17-11(2,3)12(4,5)18-15)16-19-13(6,7)14(8,9)20-16;1-10(2)11(3,4)17-14(16-10)9-15-18-12(5,6)13(7,8)19-15/h10H,1-9H3;9H2,1-8H3
InChIKeyCRIREKXGSQMTRM-UHFFFAOYSA-N
MW549.97 g/mol
LogP5.81
Rot. Bonds4

About 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane (PubChem CID 164967588) has the molecular formula C27H54B4O8 and a molecular weight of 549.97 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane
PubChem CID164967588
Molecular FormulaC27H54B4O8
Molecular Weight549.97 g/mol
Exact Mass550.42
IUPAC Name4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane
SMILESCC(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1.CC1(C)OB(CB2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C14H28B2O4.C13H26B2O4/c1-10(15-17-11(2,3)12(4,5)18-15)16-19-13(6,7)14(8,9)20-16;1-10(2)11(3,4)17-14(16-10)9-15-18-12(5,6)13(7,8)19-15/h10H,1-9H3;9H2,1-8H3
InChIKeyCRIREKXGSQMTRM-UHFFFAOYSA-N
XLogP5.81
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.97
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane with MolForge

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Related Compounds

4,4,5,5-tetramethyl-2-[(2S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane
CID 170898250
4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 11471561
2-(1-bromoethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10399156
(2R,4S)-4,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
CID 170900106
4,4,5,5-tetramethyl-2-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane
CID 163771511
4,4,5,5-tetramethyl-2-pentan-3-yl-1,3,2-dioxaborolane
CID 56926967
4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]butyl]-1,3,2-dioxaborolane
CID 164680836
4,4,5,5-tetramethyl-2-[(E)-4-methylpent-2-enyl]-1,3,2-dioxaborolane
CID 174097327
(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine
CID 142436774
(3S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-amine
CID 154475486
2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane
CID 143883669
chloro-methyl-propan-2-yloxy-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]silane
CID 102217843

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane (CID 164967588) is 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane is CC(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1.CC1(C)OB(CB2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane?
The InChIKey is CRIREKXGSQMTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28B2O4.C13H26B2O4/c1-10(15-17-11(2,3)12(4,5)18-15)16-19-13(6,7)14(8,9)20-16;1-10(2)11(3,4)17-14(16-10)9-15-18-12(5,6)13(7,8)19-15/h10H,1-9H3;9H2,1-8H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane has a molecular weight of 549.97 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 164967588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).