2-[1-(methoxymethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C11H21BO3 — CID 123135725

IUPAC2-[1-(methoxymethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCC1(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C11H21BO3/c1-9(2)10(3,4)15-12(14-9)11(6-7-11)8-13-5/h6-8H2,1-5H3
InChIKeyVXFLZKFLUABUNT-UHFFFAOYSA-N
MW212.10 g/mol
LogP2.26
Rot. Bonds3

About 2-[1-(methoxymethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[1-(methoxymethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 123135725) has the molecular formula C11H21BO3 and a molecular weight of 212.10 g/mol. Its IUPAC name is 2-[1-(methoxymethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[1-(methoxymethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID123135725
Molecular FormulaC11H21BO3
Molecular Weight212.10 g/mol
Exact Mass212.16
IUPAC Name2-[1-(methoxymethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCC1(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C11H21BO3/c1-9(2)10(3,4)15-12(14-9)11(6-7-11)8-13-5/h6-8H2,1-5H3
InChIKeyVXFLZKFLUABUNT-UHFFFAOYSA-N
XLogP2.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.10
LogP ≤ 52.26
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 2-[1-(methoxymethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[1-(methoxymethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 123135725) is 2-[1-(methoxymethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[1-(methoxymethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[1-(methoxymethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COCC1(B2OC(C)(C)C(C)(C)O2)CC1.
What is the InChIKey of 2-[1-(methoxymethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is VXFLZKFLUABUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BO3/c1-9(2)10(3,4)15-12(14-9)11(6-7-11)8-13-5/h6-8H2,1-5H3.
What are the key properties of 2-[1-(methoxymethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[1-(methoxymethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 212.10 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methoxymethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 123135725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).