5-[2-[(2-methylpropan-2-yl)oxyamino]-2-phenylethenoxy]pentan-1-ol

C17H27NO3 — CID 57202803

IUPAC5-[2-[(2-methylpropan-2-yl)oxyamino]-2-phenylethenoxy]pentan-1-ol
SMILESCC(C)(C)ONC(=COCCCCCO)c1ccccc1
InChIInChI=1S/C17H27NO3/c1-17(2,3)21-18-16(15-10-6-4-7-11-15)14-20-13-9-5-8-12-19/h4,6-7,10-11,14,18-19H,5,8-9,12-13H2,1-3H3
InChIKeyYNMONDXXYDGRRY-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.48
Rot. Bonds9

About 5-[2-[(2-methylpropan-2-yl)oxyamino]-2-phenylethenoxy]pentan-1-ol

5-[2-[(2-methylpropan-2-yl)oxyamino]-2-phenylethenoxy]pentan-1-ol (PubChem CID 57202803) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-[2-[(2-methylpropan-2-yl)oxyamino]-2-phenylethenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[2-[(2-methylpropan-2-yl)oxyamino]-2-phenylethenoxy]pentan-1-ol
PubChem CID57202803
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name5-[2-[(2-methylpropan-2-yl)oxyamino]-2-phenylethenoxy]pentan-1-ol
SMILESCC(C)(C)ONC(=COCCCCCO)c1ccccc1
InChIInChI=1S/C17H27NO3/c1-17(2,3)21-18-16(15-10-6-4-7-11-15)14-20-13-9-5-8-12-19/h4,6-7,10-11,14,18-19H,5,8-9,12-13H2,1-3H3
InChIKeyYNMONDXXYDGRRY-UHFFFAOYSA-N
XLogP3.48
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 5-[2-[(2-methylpropan-2-yl)oxyamino]-2-phenylethenoxy]pentan-1-ol?
The IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxyamino]-2-phenylethenoxy]pentan-1-ol (CID 57202803) is 5-[2-[(2-methylpropan-2-yl)oxyamino]-2-phenylethenoxy]pentan-1-ol.
What is the SMILES notation for 5-[2-[(2-methylpropan-2-yl)oxyamino]-2-phenylethenoxy]pentan-1-ol?
The canonical SMILES for 5-[2-[(2-methylpropan-2-yl)oxyamino]-2-phenylethenoxy]pentan-1-ol is CC(C)(C)ONC(=COCCCCCO)c1ccccc1.
What is the InChIKey of 5-[2-[(2-methylpropan-2-yl)oxyamino]-2-phenylethenoxy]pentan-1-ol?
The InChIKey is YNMONDXXYDGRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-17(2,3)21-18-16(15-10-6-4-7-11-15)14-20-13-9-5-8-12-19/h4,6-7,10-11,14,18-19H,5,8-9,12-13H2,1-3H3.
What are the key properties of 5-[2-[(2-methylpropan-2-yl)oxyamino]-2-phenylethenoxy]pentan-1-ol?
5-[2-[(2-methylpropan-2-yl)oxyamino]-2-phenylethenoxy]pentan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-methylpropan-2-yl)oxyamino]-2-phenylethenoxy]pentan-1-ol is sourced from PubChem (CID 57202803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).