4,4,5,5-tetramethyl-2-(5-methyl-3,4-dihydro-2H-pyran-6-yl)-1,3,2-dioxaborolane

C12H21BO3 — CID 175150224

IUPAC4,4,5,5-tetramethyl-2-(5-methyl-3,4-dihydro-2H-pyran-6-yl)-1,3,2-dioxaborolane
SMILESCC1=C(B2OC(C)(C)C(C)(C)O2)OCCC1
InChIInChI=1S/C12H21BO3/c1-9-7-6-8-14-10(9)13-15-11(2,3)12(4,5)16-13/h6-8H2,1-5H3
InChIKeyAVXZTPJGTHPNLU-UHFFFAOYSA-N
MW224.11 g/mol
LogP2.70
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-(5-methyl-3,4-dihydro-2H-pyran-6-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(5-methyl-3,4-dihydro-2H-pyran-6-yl)-1,3,2-dioxaborolane (PubChem CID 175150224) has the molecular formula C12H21BO3 and a molecular weight of 224.11 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(5-methyl-3,4-dihydro-2H-pyran-6-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(5-methyl-3,4-dihydro-2H-pyran-6-yl)-1,3,2-dioxaborolane
PubChem CID175150224
Molecular FormulaC12H21BO3
Molecular Weight224.11 g/mol
Exact Mass224.16
IUPAC Name4,4,5,5-tetramethyl-2-(5-methyl-3,4-dihydro-2H-pyran-6-yl)-1,3,2-dioxaborolane
SMILESCC1=C(B2OC(C)(C)C(C)(C)O2)OCCC1
InChIInChI=1S/C12H21BO3/c1-9-7-6-8-14-10(9)13-15-11(2,3)12(4,5)16-13/h6-8H2,1-5H3
InChIKeyAVXZTPJGTHPNLU-UHFFFAOYSA-N
XLogP2.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.11
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(5-methyl-3,4-dihydro-2H-pyran-6-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(5-methyl-3,4-dihydro-2H-pyran-6-yl)-1,3,2-dioxaborolane (CID 175150224) is 4,4,5,5-tetramethyl-2-(5-methyl-3,4-dihydro-2H-pyran-6-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(5-methyl-3,4-dihydro-2H-pyran-6-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(5-methyl-3,4-dihydro-2H-pyran-6-yl)-1,3,2-dioxaborolane is CC1=C(B2OC(C)(C)C(C)(C)O2)OCCC1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(5-methyl-3,4-dihydro-2H-pyran-6-yl)-1,3,2-dioxaborolane?
The InChIKey is AVXZTPJGTHPNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BO3/c1-9-7-6-8-14-10(9)13-15-11(2,3)12(4,5)16-13/h6-8H2,1-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(5-methyl-3,4-dihydro-2H-pyran-6-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(5-methyl-3,4-dihydro-2H-pyran-6-yl)-1,3,2-dioxaborolane has a molecular weight of 224.11 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(5-methyl-3,4-dihydro-2H-pyran-6-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 175150224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).