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

C16H32BNO3 — CID 10637726

IUPAC(Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-3-imine
SMILESCCCCC(C)/C(CCB1OC(C)(C)C(C)(C)O1)=N\OC
InChIInChI=1S/C16H32BNO3/c1-8-9-10-13(2)14(18-19-7)11-12-17-20-15(3,4)16(5,6)21-17/h13H,8-12H2,1-7H3/b18-14-
InChIKeyQZHZKCRFGOGXLH-JXAWBTAJSA-N
MW297.25 g/mol
LogP4.30
Rot. Bonds8

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

(Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-3-imine (PubChem CID 10637726) has the molecular formula C16H32BNO3 and a molecular weight of 297.25 g/mol. Its IUPAC name is (Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-3-imine.

Molecular Properties

Compound Name(Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-3-imine
PubChem CID10637726
Molecular FormulaC16H32BNO3
Molecular Weight297.25 g/mol
Exact Mass297.25
IUPAC Name(Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-3-imine
SMILESCCCCC(C)/C(CCB1OC(C)(C)C(C)(C)O1)=N\OC
InChIInChI=1S/C16H32BNO3/c1-8-9-10-13(2)14(18-19-7)11-12-17-20-15(3,4)16(5,6)21-17/h13H,8-12H2,1-7H3/b18-14-
InChIKeyQZHZKCRFGOGXLH-JXAWBTAJSA-N
XLogP4.30
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 54.30
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-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-3-imine?
The IUPAC name of (Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-3-imine (CID 10637726) is (Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-3-imine.
What is the SMILES notation for (Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-3-imine?
The canonical SMILES for (Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-3-imine is CCCCC(C)/C(CCB1OC(C)(C)C(C)(C)O1)=N\OC.
What is the InChIKey of (Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-3-imine?
The InChIKey is QZHZKCRFGOGXLH-JXAWBTAJSA-N. The full InChI is InChI=1S/C16H32BNO3/c1-8-9-10-13(2)14(18-19-7)11-12-17-20-15(3,4)16(5,6)21-17/h13H,8-12H2,1-7H3/b18-14-.
What are the key properties of (Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-3-imine?
(Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-3-imine has a molecular weight of 297.25 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-3-imine is sourced from PubChem (CID 10637726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).