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

C16H25BO2 — CID 164510804

IUPAC2-[3-(1-bicyclo[1.1.1]pentanyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C23CC(C45CC(C4)C5)(C2)C3)OC1(C)C
InChIInChI=1S/C16H25BO2/c1-12(2)13(3,4)19-17(18-12)16-8-15(9-16,10-16)14-5-11(6-14)7-14/h11H,5-10H2,1-4H3
InChIKeyAORGRBPTVWMMCV-UHFFFAOYSA-N
MW260.19 g/mol
LogP3.80
Rot. Bonds2

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

2-[3-(1-bicyclo[1.1.1]pentanyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 164510804) has the molecular formula C16H25BO2 and a molecular weight of 260.19 g/mol. Its IUPAC name is 2-[3-(1-bicyclo[1.1.1]pentanyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[3-(1-bicyclo[1.1.1]pentanyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID164510804
Molecular FormulaC16H25BO2
Molecular Weight260.19 g/mol
Exact Mass260.19
IUPAC Name2-[3-(1-bicyclo[1.1.1]pentanyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C23CC(C45CC(C4)C5)(C2)C3)OC1(C)C
InChIInChI=1S/C16H25BO2/c1-12(2)13(3,4)19-17(18-12)16-8-15(9-16,10-16)14-5-11(6-14)7-14/h11H,5-10H2,1-4H3
InChIKeyAORGRBPTVWMMCV-UHFFFAOYSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

4,4,5,5-Tetramethyl-2-[3-(propan-2-yl)bicyclo[1.1.1]pentan-1-yl]-1,3,2-dioxaborolane
CID 137944568
2-{6-Fluorospiro[3.3]heptan-2-yl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 155858804
2-{3-Ethylbicyclo[1.1.1]pentan-1-yl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 137945761
2-(3-(4,4-Difluorocyclohexyl)bicyclo[1.1.1]pentan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164510824
2-(1-Cyclohexylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134821159
4,4,5,5-Tetramethyl-2-[[2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]spiro[3.3]heptan-6-yl]methyl]-1,3,2-dioxaborolane
CID 138976597
2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154712564
2-[(3,3-Dipropylcyclobutyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154719857
(+/-)-2-(2-Cyclopropyl-3-ethynylbicyclo[1.1.1]pentan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 156009334
(+/-)-2-(2-Cyclopropyl-3-isopropylbicyclo[1.1.1]pentan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 156009368
(+/-)-2-(2-Cyclopropyl-3-methylbicyclo[1.1.1]pentan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 156009422
4,4,5,5-Tetramethyl-2-(spiro[3.4]octan-2-ylmethyl)-1,3,2-dioxaborolane
CID 162408040

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-bicyclo[1.1.1]pentanyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[3-(1-bicyclo[1.1.1]pentanyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 164510804) is 2-[3-(1-bicyclo[1.1.1]pentanyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[3-(1-bicyclo[1.1.1]pentanyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[3-(1-bicyclo[1.1.1]pentanyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C23CC(C45CC(C4)C5)(C2)C3)OC1(C)C.
What is the InChIKey of 2-[3-(1-bicyclo[1.1.1]pentanyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is AORGRBPTVWMMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BO2/c1-12(2)13(3,4)19-17(18-12)16-8-15(9-16,10-16)14-5-11(6-14)7-14/h11H,5-10H2,1-4H3.
What are the key properties of 2-[3-(1-bicyclo[1.1.1]pentanyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[3-(1-bicyclo[1.1.1]pentanyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 260.19 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-bicyclo[1.1.1]pentanyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 164510804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).