4,4,5,5-tetramethyl-2-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane

C12H25BO2 — CID 163771511

IUPAC4,4,5,5-tetramethyl-2-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane
SMILESCC[C@@H](C)C(C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H25BO2/c1-8-9(2)10(3)13-14-11(4,5)12(6,7)15-13/h9-10H,8H2,1-7H3/t9-,10?/m1/s1
InChIKeyMGVXHMWQKKEUHD-YHMJZVADSA-N
MW212.14 g/mol
LogP3.51
Rot. Bonds3

About 4,4,5,5-tetramethyl-2-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane (PubChem CID 163771511) has the molecular formula C12H25BO2 and a molecular weight of 212.14 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane
PubChem CID163771511
Molecular FormulaC12H25BO2
Molecular Weight212.14 g/mol
Exact Mass212.19
IUPAC Name4,4,5,5-tetramethyl-2-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane
SMILESCC[C@@H](C)C(C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H25BO2/c1-8-9(2)10(3)13-14-11(4,5)12(6,7)15-13/h9-10H,8H2,1-7H3/t9-,10?/m1/s1
InChIKeyMGVXHMWQKKEUHD-YHMJZVADSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane (CID 163771511) is 4,4,5,5-tetramethyl-2-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane is CC[C@@H](C)C(C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane?
The InChIKey is MGVXHMWQKKEUHD-YHMJZVADSA-N. The full InChI is InChI=1S/C12H25BO2/c1-8-9(2)10(3)13-14-11(4,5)12(6,7)15-13/h9-10H,8H2,1-7H3/t9-,10?/m1/s1.
What are the key properties of 4,4,5,5-tetramethyl-2-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane has a molecular weight of 212.14 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 163771511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).