propane;4,4,5,5-tetramethyl-2-(3-methylpentyl)-1,3,2-dioxaborolane

C15H33BO2 — CID 145395470

IUPACpropane;4,4,5,5-tetramethyl-2-(3-methylpentyl)-1,3,2-dioxaborolane
SMILESCCC.CCC(C)CCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H25BO2.C3H8/c1-7-10(2)8-9-13-14-11(3,4)12(5,6)15-13;1-3-2/h10H,7-9H2,1-6H3;3H2,1-2H3
InChIKeyJLGWCKPDSRKFEG-UHFFFAOYSA-N
MW256.24 g/mol
LogP4.93
Rot. Bonds4

About propane;4,4,5,5-tetramethyl-2-(3-methylpentyl)-1,3,2-dioxaborolane

propane;4,4,5,5-tetramethyl-2-(3-methylpentyl)-1,3,2-dioxaborolane (PubChem CID 145395470) has the molecular formula C15H33BO2 and a molecular weight of 256.24 g/mol. Its IUPAC name is propane;4,4,5,5-tetramethyl-2-(3-methylpentyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Namepropane;4,4,5,5-tetramethyl-2-(3-methylpentyl)-1,3,2-dioxaborolane
PubChem CID145395470
Molecular FormulaC15H33BO2
Molecular Weight256.24 g/mol
Exact Mass256.26
IUPAC Namepropane;4,4,5,5-tetramethyl-2-(3-methylpentyl)-1,3,2-dioxaborolane
SMILESCCC.CCC(C)CCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H25BO2.C3H8/c1-7-10(2)8-9-13-14-11(3,4)12(5,6)15-13;1-3-2/h10H,7-9H2,1-6H3;3H2,1-2H3
InChIKeyJLGWCKPDSRKFEG-UHFFFAOYSA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 54.93
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

2-Butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 2773615
2-Isopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12727711
Tert-butylboronic acid pinacol ester
CID 3301663
2-Ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10942698
4,4,5,5-Tetramethyl-2-(2-methylpropyl)-1,3,2-dioxaborolane
CID 13491253
2-(Cyclopentylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15260005
4,4,5,5-Tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane
CID 86014281
4,4,5,5-Tetramethyl-2-propyl-1,3,2-dioxaborolane
CID 10103569
2-(Cyclobutylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102198915
2-((1R,2R)-2-ethylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145913498
2-[(1S,2S)-2-ethylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 148234410
rac-2-((2R,3R)-2,3-dimethylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 146155738

Frequently Asked Questions

What is the IUPAC name of propane;4,4,5,5-tetramethyl-2-(3-methylpentyl)-1,3,2-dioxaborolane?
The IUPAC name of propane;4,4,5,5-tetramethyl-2-(3-methylpentyl)-1,3,2-dioxaborolane (CID 145395470) is propane;4,4,5,5-tetramethyl-2-(3-methylpentyl)-1,3,2-dioxaborolane.
What is the SMILES notation for propane;4,4,5,5-tetramethyl-2-(3-methylpentyl)-1,3,2-dioxaborolane?
The canonical SMILES for propane;4,4,5,5-tetramethyl-2-(3-methylpentyl)-1,3,2-dioxaborolane is CCC.CCC(C)CCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of propane;4,4,5,5-tetramethyl-2-(3-methylpentyl)-1,3,2-dioxaborolane?
The InChIKey is JLGWCKPDSRKFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BO2.C3H8/c1-7-10(2)8-9-13-14-11(3,4)12(5,6)15-13;1-3-2/h10H,7-9H2,1-6H3;3H2,1-2H3.
What are the key properties of propane;4,4,5,5-tetramethyl-2-(3-methylpentyl)-1,3,2-dioxaborolane?
propane;4,4,5,5-tetramethyl-2-(3-methylpentyl)-1,3,2-dioxaborolane has a molecular weight of 256.24 g/mol, XLogP of 4.93, 4 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-(3-methylpentyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 145395470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).