(Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine

C12H24BNO3 — CID 10824004

IUPAC(Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine
SMILESCC/C(CCB1OC(C)(C)C(C)(C)O1)=N/OC
InChIInChI=1S/C12H24BNO3/c1-7-10(14-15-6)8-9-13-16-11(2,3)12(4,5)17-13/h7-9H2,1-6H3/b14-10-
InChIKeyVCJNVCYNBZJTAM-UVTDQMKNSA-N
MW241.14 g/mol
LogP2.88
Rot. Bonds5

About (Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine

(Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine (PubChem CID 10824004) has the molecular formula C12H24BNO3 and a molecular weight of 241.14 g/mol. Its IUPAC name is (Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine.

Molecular Properties

Compound Name(Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine
PubChem CID10824004
Molecular FormulaC12H24BNO3
Molecular Weight241.14 g/mol
Exact Mass241.18
IUPAC Name(Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine
SMILESCC/C(CCB1OC(C)(C)C(C)(C)O1)=N/OC
InChIInChI=1S/C12H24BNO3/c1-7-10(14-15-6)8-9-13-16-11(2,3)12(4,5)17-13/h7-9H2,1-6H3/b14-10-
InChIKeyVCJNVCYNBZJTAM-UVTDQMKNSA-N
XLogP2.88
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.14
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine?
The IUPAC name of (Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine (CID 10824004) is (Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine.
What is the SMILES notation for (Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine?
The canonical SMILES for (Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine is CC/C(CCB1OC(C)(C)C(C)(C)O1)=N/OC.
What is the InChIKey of (Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine?
The InChIKey is VCJNVCYNBZJTAM-UVTDQMKNSA-N. The full InChI is InChI=1S/C12H24BNO3/c1-7-10(14-15-6)8-9-13-16-11(2,3)12(4,5)17-13/h7-9H2,1-6H3/b14-10-.
What are the key properties of (Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine?
(Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine has a molecular weight of 241.14 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine is sourced from PubChem (CID 10824004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).