propane;4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane

C17H29BO2 — CID 143993405

IUPACpropane;4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane
SMILESCCC.Cc1ccc(CB2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C14H21BO2.C3H8/c1-11-6-8-12(9-7-11)10-15-16-13(2,3)14(4,5)17-15;1-3-2/h6-9H,10H2,1-5H3;3H2,1-2H3
InChIKeyDCSTTXFVHXRADZ-UHFFFAOYSA-N
MW276.23 g/mol
LogP4.59
Rot. Bonds2

About propane;4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane

propane;4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane (PubChem CID 143993405) has the molecular formula C17H29BO2 and a molecular weight of 276.23 g/mol. Its IUPAC name is propane;4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Namepropane;4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane
PubChem CID143993405
Molecular FormulaC17H29BO2
Molecular Weight276.23 g/mol
Exact Mass276.23
IUPAC Namepropane;4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane
SMILESCCC.Cc1ccc(CB2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C14H21BO2.C3H8/c1-11-6-8-12(9-7-11)10-15-16-13(2,3)14(4,5)17-15;1-3-2/h6-9H,10H2,1-5H3;3H2,1-2H3
InChIKeyDCSTTXFVHXRADZ-UHFFFAOYSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze propane;4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-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

1-(bromomethyl)-4-methylbenzene;4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane
CID 158315130
2-[4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]phenyl]acetic acid
CID 75487375
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
2-[(4-fluorophenyl)methyl]-4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolane
CID 155607179
4,4,5,5-tetramethyl-2-[1-(4-methylphenyl)propan-2-yl]-1,3,2-dioxaborolane
CID 122226691
methane;1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 162237370
2,6-dimethyl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]benzonitrile
CID 56973165
trimethyl-[1-(4-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]silane
CID 177455263
4,4,5,5-tetramethyl-N-(4-methylphenyl)-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine
CID 102198588
2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane
CID 143883669
1-ethyl-4-methylbenzene;propane
CID 144580802
ethane;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane
CID 142330584

Frequently Asked Questions

What is the IUPAC name of propane;4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane?
The IUPAC name of propane;4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane (CID 143993405) is propane;4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane.
What is the SMILES notation for propane;4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane?
The canonical SMILES for propane;4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane is CCC.Cc1ccc(CB2OC(C)(C)C(C)(C)O2)cc1.
What is the InChIKey of propane;4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane?
The InChIKey is DCSTTXFVHXRADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BO2.C3H8/c1-11-6-8-12(9-7-11)10-15-16-13(2,3)14(4,5)17-15;1-3-2/h6-9H,10H2,1-5H3;3H2,1-2H3.
What are the key properties of propane;4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane?
propane;4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane has a molecular weight of 276.23 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 143993405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).