4,4,5,5-tetramethyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)-1,3,2-dioxaborolane

C22H29BO2 — CID 177264639

IUPAC4,4,5,5-tetramethyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cc3c4c(cccc4c2)C(C)(C)C3(C)C)OC1(C)C
InChIInChI=1S/C22H29BO2/c1-19(2)16-11-9-10-14-12-15(13-17(18(14)16)20(19,3)4)23-24-21(5,6)22(7,8)25-23/h9-13H,1-8H3
InChIKeyWMPSKBXVGKCJDF-UHFFFAOYSA-N
MW336.28 g/mol
LogP4.71
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)-1,3,2-dioxaborolane (PubChem CID 177264639) has the molecular formula C22H29BO2 and a molecular weight of 336.28 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)-1,3,2-dioxaborolane
PubChem CID177264639
Molecular FormulaC22H29BO2
Molecular Weight336.28 g/mol
Exact Mass336.23
IUPAC Name4,4,5,5-tetramethyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cc3c4c(cccc4c2)C(C)(C)C3(C)C)OC1(C)C
InChIInChI=1S/C22H29BO2/c1-19(2)16-11-9-10-14-12-15(13-17(18(14)16)20(19,3)4)23-24-21(5,6)22(7,8)25-23/h9-13H,1-8H3
InChIKeyWMPSKBXVGKCJDF-UHFFFAOYSA-N
XLogP4.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-pyren-2-yl-1,3,2-dioxaborolane
CID 139146026
2-(5-bromo-4-methylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169132131
8,8,14,14,22,22-hexamethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 90285418
4,4,5,5-tetramethyl-2-[5,5,21,21-tetraethyl-27-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-11-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9,11,13(34),14,16,18,23,25,27,29(33),30-hexadecaenyl]-1,3,2-dioxaborolane
CID 58233478
4,4,5,5-tetramethyl-2-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,2-dioxaborolane
CID 155639948
2,5-ditert-butylperylene;2-[8,11-ditert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)perylen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;perylene;bis(2,5,8,11-tetratert-butylperylene);4,4,5,5-tetramethyl-2-(5,8,11-tritert-butylperylen-2-yl)-1,3,2-dioxaborolane;2,5,8-tritert-butylperylene
CID 159980923
(1,1,2,2-tetramethylacenaphthylen-4-yl)boronic acid
CID 177264772
15-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
CID 123495729
trimethyl-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]methyl]azanium
CID 177480059
4,4,5,5-tetramethyl-2-(10-oxahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaen-21-yl)-1,3,2-dioxaborolane
CID 174079288
4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-1,3,2-dioxaborolane
CID 140768909
5,5-dimethyl-2-pyren-1-yl-1,3,2-dioxaborinane;4,4,5,5-tetramethyl-2-pyren-1-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyren-2-yl]-1,3,2-dioxaborolane
CID 162240343

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)-1,3,2-dioxaborolane (CID 177264639) is 4,4,5,5-tetramethyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)-1,3,2-dioxaborolane is CC1(C)OB(c2cc3c4c(cccc4c2)C(C)(C)C3(C)C)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)-1,3,2-dioxaborolane?
The InChIKey is WMPSKBXVGKCJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29BO2/c1-19(2)16-11-9-10-14-12-15(13-17(18(14)16)20(19,3)4)23-24-21(5,6)22(7,8)25-23/h9-13H,1-8H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)-1,3,2-dioxaborolane has a molecular weight of 336.28 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 177264639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).