prop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane

C15H23BO2 — CID 160688261

IUPACprop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane
SMILESC=CC.CC1(C)OB(c2ccccc2)OC1(C)C
InChIInChI=1S/C12H17BO2.C3H6/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;1-3-2/h5-9H,1-4H3;3H,1H2,2H3
InChIKeyRPBGNVGQKZZHRN-UHFFFAOYSA-N
MW246.16 g/mol
LogP3.18
Rot. Bonds1

About prop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane

prop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane (PubChem CID 160688261) has the molecular formula C15H23BO2 and a molecular weight of 246.16 g/mol. Its IUPAC name is prop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Nameprop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane
PubChem CID160688261
Molecular FormulaC15H23BO2
Molecular Weight246.16 g/mol
Exact Mass246.18
IUPAC Nameprop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane
SMILESC=CC.CC1(C)OB(c2ccccc2)OC1(C)C
InChIInChI=1S/C12H17BO2.C3H6/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;1-3-2/h5-9H,1-4H3;3H,1H2,2H3
InChIKeyRPBGNVGQKZZHRN-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.16
LogP ≤ 53.18
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'}

Analyze prop-1-ene;4,4,5,5-tetramethyl-2-phenyl-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

2-(4-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 23629516
2-(4-deuteriophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138376291
4,4,5,5-tetramethyl-2-[4-(4-phenylbuta-1,3-dienyl)phenyl]-1,3,2-dioxaborolane
CID 123932763
triphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]germane
CID 169031106
methyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
CID 171832535
4,4,5,5-tetramethyl-2-[4-(2-phenylethynyl)phenyl]-1,3,2-dioxaborolane
CID 57416880
4,4,5,5-tetramethyl-2-[4-(2-phenylethyl)phenyl]-1,3,2-dioxaborolane
CID 102447774
2-(4,5,5-trimethyl-2-phenyl-1,3,2-dioxaborolan-4-yl)ethenone
CID 154372576
4,4,5,5-tetramethyl-2-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,2-dioxaborolane
CID 123477261
2-[3,5-bis(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140797005
phenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
CID 174108740
4,4,5,5-tetramethyl-2-[3-(10-phenylboranthren-5-yl)phenyl]-1,3,2-dioxaborolane
CID 156664622

Frequently Asked Questions

What is the IUPAC name of prop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane?
The IUPAC name of prop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane (CID 160688261) is prop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane.
What is the SMILES notation for prop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane?
The canonical SMILES for prop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane is C=CC.CC1(C)OB(c2ccccc2)OC1(C)C.
What is the InChIKey of prop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane?
The InChIKey is RPBGNVGQKZZHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BO2.C3H6/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;1-3-2/h5-9H,1-4H3;3H,1H2,2H3.
What are the key properties of prop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane?
prop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane has a molecular weight of 246.16 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane is sourced from PubChem (CID 160688261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).