2-[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C39H60B2O10 — CID 139249373

IUPAC2-[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCCOCCOCCC1(CCOCCOCCOC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2cccc(B3OC(C)(C)C(C)(C)O3)c21
InChIInChI=1S/C39H60B2O10/c1-35(2)36(3,4)49-40(48-35)29-14-15-30-31-12-11-13-33(41-50-37(5,6)38(7,8)51-41)34(31)39(32(30)28-29,16-18-44-24-26-46-22-20-42-9)17-19-45-25-27-47-23-21-43-10/h11-15,28H,16-27H2,1-10H3
InChIKeyNHGKXKUESODSCA-UHFFFAOYSA-N
MW710.52 g/mol
LogP4.69
Rot. Bonds20

About 2-[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 139249373) has the molecular formula C39H60B2O10 and a molecular weight of 710.52 g/mol. Its IUPAC name is 2-[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID139249373
Molecular FormulaC39H60B2O10
Molecular Weight710.52 g/mol
Exact Mass710.44
IUPAC Name2-[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCCOCCOCCC1(CCOCCOCCOC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2cccc(B3OC(C)(C)C(C)(C)O3)c21
InChIInChI=1S/C39H60B2O10/c1-35(2)36(3,4)49-40(48-35)29-14-15-30-31-12-11-13-33(41-50-37(5,6)38(7,8)51-41)34(31)39(32(30)28-29,16-18-44-24-26-46-22-20-42-9)17-19-45-25-27-47-23-21-43-10/h11-15,28H,16-27H2,1-10H3
InChIKeyNHGKXKUESODSCA-UHFFFAOYSA-N
XLogP4.69
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500710.52
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 139249373) is 2-[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COCCOCCOCCC1(CCOCCOCCOC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2cccc(B3OC(C)(C)C(C)(C)O3)c21.
What is the InChIKey of 2-[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is NHGKXKUESODSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H60B2O10/c1-35(2)36(3,4)49-40(48-35)29-14-15-30-31-12-11-13-33(41-50-37(5,6)38(7,8)51-41)34(31)39(32(30)28-29,16-18-44-24-26-46-22-20-42-9)17-19-45-25-27-47-23-21-43-10/h11-15,28H,16-27H2,1-10H3.
What are the key properties of 2-[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 710.52 g/mol, XLogP of 4.69, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 139249373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).