4,4,5,5-tetramethyl-2-[3-(1-phenylcyclopropyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane

C20H27BO2 — CID 164510813

IUPAC4,4,5,5-tetramethyl-2-[3-(1-phenylcyclopropyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C23CC(C4(c5ccccc5)CC4)(C2)C3)OC1(C)C
InChIInChI=1S/C20H27BO2/c1-16(2)17(3,4)23-21(22-16)19-12-18(13-19,14-19)20(10-11-20)15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3
InChIKeyBSKVCCBIUXFJTA-UHFFFAOYSA-N
MW310.25 g/mol
LogP4.73
Rot. Bonds3

About 4,4,5,5-tetramethyl-2-[3-(1-phenylcyclopropyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[3-(1-phenylcyclopropyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane (PubChem CID 164510813) has the molecular formula C20H27BO2 and a molecular weight of 310.25 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[3-(1-phenylcyclopropyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[3-(1-phenylcyclopropyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane
PubChem CID164510813
Molecular FormulaC20H27BO2
Molecular Weight310.25 g/mol
Exact Mass310.21
IUPAC Name4,4,5,5-tetramethyl-2-[3-(1-phenylcyclopropyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C23CC(C4(c5ccccc5)CC4)(C2)C3)OC1(C)C
InChIInChI=1S/C20H27BO2/c1-16(2)17(3,4)23-21(22-16)19-12-18(13-19,14-19)20(10-11-20)15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3
InChIKeyBSKVCCBIUXFJTA-UHFFFAOYSA-N
XLogP4.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-[3-(1-phenylcyclopropyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl-phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]silane
CID 154717065
2-[3-(2-bromophenyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164510866
2-[4-[4,4-diphenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 89459060
2-[4-[1,4-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 89459058
(3S)-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-one
CID 135062360
3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine
CID 175960409
benzyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)bicyclo[1.1.1]pentane-1-carboxylate
CID 163323617
4,4,5,5-tetramethyl-2-(9-phenylfluoren-9-yl)-1,3,2-dioxaborolane
CID 176734595
(3R)-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-one
CID 101484684
2-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164510822
4,4,5,5-tetramethyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-1,3,2-dioxaborolane
CID 178201203
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[3-(1-phenylcyclopropyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[3-(1-phenylcyclopropyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane (CID 164510813) is 4,4,5,5-tetramethyl-2-[3-(1-phenylcyclopropyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[3-(1-phenylcyclopropyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[3-(1-phenylcyclopropyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane is CC1(C)OB(C23CC(C4(c5ccccc5)CC4)(C2)C3)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[3-(1-phenylcyclopropyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane?
The InChIKey is BSKVCCBIUXFJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BO2/c1-16(2)17(3,4)23-21(22-16)19-12-18(13-19,14-19)20(10-11-20)15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[3-(1-phenylcyclopropyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[3-(1-phenylcyclopropyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane has a molecular weight of 310.25 g/mol, XLogP of 4.73, 3 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-[3-(1-phenylcyclopropyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 164510813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).