4,4,5,5-tetramethyl-2-spiro[cyclobutane-1,9'-fluorene]-4'-yl-1,3,2-dioxaborolane

C22H25BO2 — CID 162519788

IUPAC4,4,5,5-tetramethyl-2-spiro[cyclobutane-1,9'-fluorene]-4'-yl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cccc3c2-c2ccccc2C32CCC2)OC1(C)C
InChIInChI=1S/C22H25BO2/c1-20(2)21(3,4)25-23(24-20)18-12-7-11-17-19(18)15-9-5-6-10-16(15)22(17)13-8-14-22/h5-7,9-12H,8,13-14H2,1-4H3
InChIKeyIOAPNIZNNLVSPR-UHFFFAOYSA-N
MW332.25 g/mol
LogP4.44
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-spiro[cyclobutane-1,9'-fluorene]-4'-yl-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-spiro[cyclobutane-1,9'-fluorene]-4'-yl-1,3,2-dioxaborolane (PubChem CID 162519788) has the molecular formula C22H25BO2 and a molecular weight of 332.25 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-spiro[cyclobutane-1,9'-fluorene]-4'-yl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-spiro[cyclobutane-1,9'-fluorene]-4'-yl-1,3,2-dioxaborolane
PubChem CID162519788
Molecular FormulaC22H25BO2
Molecular Weight332.25 g/mol
Exact Mass332.19
IUPAC Name4,4,5,5-tetramethyl-2-spiro[cyclobutane-1,9'-fluorene]-4'-yl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cccc3c2-c2ccccc2C32CCC2)OC1(C)C
InChIInChI=1S/C22H25BO2/c1-20(2)21(3,4)25-23(24-20)18-12-7-11-17-19(18)15-9-5-6-10-16(15)22(17)13-8-14-22/h5-7,9-12H,8,13-14H2,1-4H3
InChIKeyIOAPNIZNNLVSPR-UHFFFAOYSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 54.44
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

2-(9',9'-dimethylspiro[cyclohexane-1,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162519765
2-(9H-fluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 148755386
4,4,5,5-tetramethyl-2-(7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-yl)-1,3,2-dioxaborolane
CID 164819559
2-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-2'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162519746
2-(3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 172603786
spiro[cyclopentane-1,9'-fluorene]-4'-amine
CID 137417428
4,4,5,5-tetramethyl-2-[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane
CID 140933550
2-(9,9-dimethyl-7-methylsulfonylfluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 163284711
4,4,5,5-tetramethyl-2-(4-pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaenyl)-1,3,2-dioxaborolane
CID 140808883
2-(7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140892174
4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]-1,3,2-dioxaborolane
CID 58793126
4,4,5,5-tetramethyl-2-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)-1,3,2-dioxaborolane
CID 171832563

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-spiro[cyclobutane-1,9'-fluorene]-4'-yl-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-spiro[cyclobutane-1,9'-fluorene]-4'-yl-1,3,2-dioxaborolane (CID 162519788) is 4,4,5,5-tetramethyl-2-spiro[cyclobutane-1,9'-fluorene]-4'-yl-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-spiro[cyclobutane-1,9'-fluorene]-4'-yl-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-spiro[cyclobutane-1,9'-fluorene]-4'-yl-1,3,2-dioxaborolane is CC1(C)OB(c2cccc3c2-c2ccccc2C32CCC2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-spiro[cyclobutane-1,9'-fluorene]-4'-yl-1,3,2-dioxaborolane?
The InChIKey is IOAPNIZNNLVSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BO2/c1-20(2)21(3,4)25-23(24-20)18-12-7-11-17-19(18)15-9-5-6-10-16(15)22(17)13-8-14-22/h5-7,9-12H,8,13-14H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-spiro[cyclobutane-1,9'-fluorene]-4'-yl-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-spiro[cyclobutane-1,9'-fluorene]-4'-yl-1,3,2-dioxaborolane has a molecular weight of 332.25 g/mol, XLogP of 4.44, 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-spiro[cyclobutane-1,9'-fluorene]-4'-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 162519788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).