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

C17H29BO2 — CID 164510867

IUPAC2-[3-(cyclopentylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C23CC(CC4CCCC4)(C2)C3)OC1(C)C
InChIInChI=1S/C17H29BO2/c1-14(2)15(3,4)20-18(19-14)17-10-16(11-17,12-17)9-13-7-5-6-8-13/h13H,5-12H2,1-4H3
InChIKeyFDRXEZJNEWGEPY-UHFFFAOYSA-N
MW276.23 g/mol
LogP4.58
Rot. Bonds3

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

2-[3-(cyclopentylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 164510867) has the molecular formula C17H29BO2 and a molecular weight of 276.23 g/mol. Its IUPAC name is 2-[3-(cyclopentylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[3-(cyclopentylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID164510867
Molecular FormulaC17H29BO2
Molecular Weight276.23 g/mol
Exact Mass276.23
IUPAC Name2-[3-(cyclopentylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C23CC(CC4CCCC4)(C2)C3)OC1(C)C
InChIInChI=1S/C17H29BO2/c1-14(2)15(3,4)20-18(19-14)17-10-16(11-17,12-17)9-13-7-5-6-8-13/h13H,5-12H2,1-4H3
InChIKeyFDRXEZJNEWGEPY-UHFFFAOYSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 54.58
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-[3-(propan-2-yl)bicyclo[1.1.1]pentan-1-yl]-1,3,2-dioxaborolane
CID 137944568
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-[(3,3-Dipropylcyclobutyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154719857
(+/-)-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
4,4,5,5-Tetramethyl-2-(spiro[3.5]nonan-2-ylmethyl)-1,3,2-dioxaborolane
CID 162409705
2-([1,1'-Bi(bicyclo[1.1.1]pentan)]-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164510804
2-(3-(Cyclopropylmethyl)bicyclo[1.1.1]pentan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164510815
4,4,5,5-Tetramethyl-2-(3-(2-(3-methylcyclopentyl)propan-2-yl)bicyclo[1.1.1]pentan-1-yl)-1,3,2-dioxaborolane
CID 164510819
4,4,5,5-Tetramethyl-2-(3-(1-methylcyclohexyl)bicyclo[1.1.1]pentan-1-yl)-1,3,2-dioxaborolane
CID 164510842
2-[3-(4-Fluorobutyl)bicyclo[1.1.1]pentan-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 137944833

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[3-(cyclopentylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 164510867) is 2-[3-(cyclopentylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[3-(cyclopentylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[3-(cyclopentylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C23CC(CC4CCCC4)(C2)C3)OC1(C)C.
What is the InChIKey of 2-[3-(cyclopentylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is FDRXEZJNEWGEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BO2/c1-14(2)15(3,4)20-18(19-14)17-10-16(11-17,12-17)9-13-7-5-6-8-13/h13H,5-12H2,1-4H3.
What are the key properties of 2-[3-(cyclopentylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[3-(cyclopentylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 276.23 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 164510867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).