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

C15H25BO2 — CID 164510815

IUPAC2-[3-(cyclopropylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C23CC(CC4CC4)(C2)C3)OC1(C)C
InChIInChI=1S/C15H25BO2/c1-12(2)13(3,4)18-16(17-12)15-8-14(9-15,10-15)7-11-5-6-11/h11H,5-10H2,1-4H3
InChIKeyDUHRHKDELNGPPY-UHFFFAOYSA-N
MW248.17 g/mol
LogP3.80
Rot. Bonds3

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

2-[3-(cyclopropylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 164510815) has the molecular formula C15H25BO2 and a molecular weight of 248.17 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[3-(cyclopropylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID164510815
Molecular FormulaC15H25BO2
Molecular Weight248.17 g/mol
Exact Mass248.19
IUPAC Name2-[3-(cyclopropylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C23CC(CC4CC4)(C2)C3)OC1(C)C
InChIInChI=1S/C15H25BO2/c1-12(2)13(3,4)18-16(17-12)15-8-14(9-15,10-15)7-11-5-6-11/h11H,5-10H2,1-4H3
InChIKeyDUHRHKDELNGPPY-UHFFFAOYSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 53.80
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-(spiro(2.3)hexan-1-yl)-1,3,2-dioxaborolane
CID 137963825
2-{3-Ethylbicyclo[1.1.1]pentan-1-yl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 137945761
(+/-)-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
2-([1,1'-Bi(bicyclo[1.1.1]pentan)]-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164510804
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
2-(3-(Cyclopentylmethyl)bicyclo[1.1.1]pentan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164510867
2-[3-(4-Fluorobutyl)bicyclo[1.1.1]pentan-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 137944833
2-[3-(3-Fluoropropyl)bicyclo[1.1.1]pentan-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 137945192

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[3-(cyclopropylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 164510815) is 2-[3-(cyclopropylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[3-(cyclopropylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[3-(cyclopropylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C23CC(CC4CC4)(C2)C3)OC1(C)C.
What is the InChIKey of 2-[3-(cyclopropylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is DUHRHKDELNGPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BO2/c1-12(2)13(3,4)18-16(17-12)15-8-14(9-15,10-15)7-11-5-6-11/h11H,5-10H2,1-4H3.
What are the key properties of 2-[3-(cyclopropylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[3-(cyclopropylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 248.17 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 164510815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).