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

C15H25BO2 — CID 164510880

IUPAC2-(3-but-3-enyl-1-bicyclo[1.1.1]pentanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CCCC12CC(B3OC(C)(C)C(C)(C)O3)(C1)C2
InChIInChI=1S/C15H25BO2/c1-6-7-8-14-9-15(10-14,11-14)16-17-12(2,3)13(4,5)18-16/h6H,1,7-11H2,2-5H3
InChIKeyGHWKYQMOJDFLLG-UHFFFAOYSA-N
MW248.17 g/mol
LogP3.97
Rot. Bonds4

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

2-(3-but-3-enyl-1-bicyclo[1.1.1]pentanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 164510880) has the molecular formula C15H25BO2 and a molecular weight of 248.17 g/mol. Its IUPAC name is 2-(3-but-3-enyl-1-bicyclo[1.1.1]pentanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(3-but-3-enyl-1-bicyclo[1.1.1]pentanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID164510880
Molecular FormulaC15H25BO2
Molecular Weight248.17 g/mol
Exact Mass248.19
IUPAC Name2-(3-but-3-enyl-1-bicyclo[1.1.1]pentanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CCCC12CC(B3OC(C)(C)C(C)(C)O3)(C1)C2
InChIInChI=1S/C15H25BO2/c1-6-7-8-14-9-15(10-14,11-14)16-17-12(2,3)13(4,5)18-16/h6H,1,7-11H2,2-5H3
InChIKeyGHWKYQMOJDFLLG-UHFFFAOYSA-N
XLogP3.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-Tetramethyl-2-{spiro[3.3]hept-1-en-2-yl}-1,3,2-dioxaborolane
CID 140846178
2-(2,2-Dipropylpent-4-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 122366992
4,4,5,5-tetramethyl-2-[(Z)-2-(1-methylcyclohexyl)ethenyl]-1,3,2-dioxaborolane
CID 134903682
2-[1-(3,3-Dipropylcyclobutyl)vinyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138981016
(+/-)-2-(2-Cyclopropyl-3-vinylbicyclo[1.1.1]pentan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 156009374
2-((1-Allylcyclopentyl)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162408889
(E)-4,4,5,5-tetramethyl-2-(3-(oct-1-en-1-yl)bicyclo[1.1.1]pentan-1-yl)-1,3,2-dioxaborolane
CID 164510841
2-(3-(Hex-5-en-1-yl)bicyclo[1.1.1]pentan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164510855
2-(2-Cyclopropyl-3-vinylbicyclo[1.1.1]pentan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 163321229
2-[(E)-6,6-dimethylhept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 172487637
4,4,5,5-tetramethyl-2-[3-[(E)-oct-1-enyl]-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane
CID 164510862
4,4,5,5-Tetramethyl-2-[2-(1-methylcyclobutyl)ethenyl]-1,3,2-dioxaborolane
CID 165471488

Frequently Asked Questions

What is the IUPAC name of 2-(3-but-3-enyl-1-bicyclo[1.1.1]pentanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(3-but-3-enyl-1-bicyclo[1.1.1]pentanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 164510880) is 2-(3-but-3-enyl-1-bicyclo[1.1.1]pentanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(3-but-3-enyl-1-bicyclo[1.1.1]pentanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(3-but-3-enyl-1-bicyclo[1.1.1]pentanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=CCCC12CC(B3OC(C)(C)C(C)(C)O3)(C1)C2.
What is the InChIKey of 2-(3-but-3-enyl-1-bicyclo[1.1.1]pentanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is GHWKYQMOJDFLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BO2/c1-6-7-8-14-9-15(10-14,11-14)16-17-12(2,3)13(4,5)18-16/h6H,1,7-11H2,2-5H3.
What are the key properties of 2-(3-but-3-enyl-1-bicyclo[1.1.1]pentanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(3-but-3-enyl-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 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-but-3-enyl-1-bicyclo[1.1.1]pentanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 164510880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).