[(E)-(1-ethoxy-4-methylpentan-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol

C13H27NO3 — CID 143499909

IUPAC[(E)-(1-ethoxy-4-methylpentan-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol
SMILESCCOC/C(CC(C)C)=N/C(O)OC(C)(C)C
InChIInChI=1S/C13H27NO3/c1-7-16-9-11(8-10(2)3)14-12(15)17-13(4,5)6/h10,12,15H,7-9H2,1-6H3/b14-11+
InChIKeyMUXUCDAMMDPJEF-SDNWHVSQSA-N
MW245.36 g/mol
LogP2.60
Rot. Bonds7

About [(E)-(1-ethoxy-4-methylpentan-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol

[(E)-(1-ethoxy-4-methylpentan-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol (PubChem CID 143499909) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is [(E)-(1-ethoxy-4-methylpentan-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol.

Molecular Properties

Compound Name[(E)-(1-ethoxy-4-methylpentan-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol
PubChem CID143499909
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name[(E)-(1-ethoxy-4-methylpentan-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol
SMILESCCOC/C(CC(C)C)=N/C(O)OC(C)(C)C
InChIInChI=1S/C13H27NO3/c1-7-16-9-11(8-10(2)3)14-12(15)17-13(4,5)6/h10,12,15H,7-9H2,1-6H3/b14-11+
InChIKeyMUXUCDAMMDPJEF-SDNWHVSQSA-N
XLogP2.60
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-(1-ethoxy-4-methylpentan-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol?
The IUPAC name of [(E)-(1-ethoxy-4-methylpentan-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol (CID 143499909) is [(E)-(1-ethoxy-4-methylpentan-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol.
What is the SMILES notation for [(E)-(1-ethoxy-4-methylpentan-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol?
The canonical SMILES for [(E)-(1-ethoxy-4-methylpentan-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol is CCOC/C(CC(C)C)=N/C(O)OC(C)(C)C.
What is the InChIKey of [(E)-(1-ethoxy-4-methylpentan-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol?
The InChIKey is MUXUCDAMMDPJEF-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H27NO3/c1-7-16-9-11(8-10(2)3)14-12(15)17-13(4,5)6/h10,12,15H,7-9H2,1-6H3/b14-11+.
What are the key properties of [(E)-(1-ethoxy-4-methylpentan-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol?
[(E)-(1-ethoxy-4-methylpentan-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol has a molecular weight of 245.36 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(1-ethoxy-4-methylpentan-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol is sourced from PubChem (CID 143499909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).