O-[6-[(4-cyclooctylphenyl)methoxymethyl]oxan-2-yl]hydroxylamine

C21H33NO3 — CID 142032402

IUPACO-[6-[(4-cyclooctylphenyl)methoxymethyl]oxan-2-yl]hydroxylamine
SMILESNOC1CCCC(COCc2ccc(C3CCCCCCC3)cc2)O1
InChIInChI=1S/C21H33NO3/c22-25-21-10-6-9-20(24-21)16-23-15-17-11-13-19(14-12-17)18-7-4-2-1-3-5-8-18/h11-14,18,20-21H,1-10,15-16,22H2
InChIKeyAOPBSFKOYVUFBN-UHFFFAOYSA-N
MW347.50 g/mol
LogP4.82
Rot. Bonds6

About O-[6-[(4-cyclooctylphenyl)methoxymethyl]oxan-2-yl]hydroxylamine

O-[6-[(4-cyclooctylphenyl)methoxymethyl]oxan-2-yl]hydroxylamine (PubChem CID 142032402) has the molecular formula C21H33NO3 and a molecular weight of 347.50 g/mol. Its IUPAC name is O-[6-[(4-cyclooctylphenyl)methoxymethyl]oxan-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[6-[(4-cyclooctylphenyl)methoxymethyl]oxan-2-yl]hydroxylamine
PubChem CID142032402
Molecular FormulaC21H33NO3
Molecular Weight347.50 g/mol
Exact Mass347.25
IUPAC NameO-[6-[(4-cyclooctylphenyl)methoxymethyl]oxan-2-yl]hydroxylamine
SMILESNOC1CCCC(COCc2ccc(C3CCCCCCC3)cc2)O1
InChIInChI=1S/C21H33NO3/c22-25-21-10-6-9-20(24-21)16-23-15-17-11-13-19(14-12-17)18-7-4-2-1-3-5-8-18/h11-14,18,20-21H,1-10,15-16,22H2
InChIKeyAOPBSFKOYVUFBN-UHFFFAOYSA-N
XLogP4.82
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[6-[(4-cyclooctylphenyl)methoxymethyl]oxan-2-yl]hydroxylamine?
The IUPAC name of O-[6-[(4-cyclooctylphenyl)methoxymethyl]oxan-2-yl]hydroxylamine (CID 142032402) is O-[6-[(4-cyclooctylphenyl)methoxymethyl]oxan-2-yl]hydroxylamine.
What is the SMILES notation for O-[6-[(4-cyclooctylphenyl)methoxymethyl]oxan-2-yl]hydroxylamine?
The canonical SMILES for O-[6-[(4-cyclooctylphenyl)methoxymethyl]oxan-2-yl]hydroxylamine is NOC1CCCC(COCc2ccc(C3CCCCCCC3)cc2)O1.
What is the InChIKey of O-[6-[(4-cyclooctylphenyl)methoxymethyl]oxan-2-yl]hydroxylamine?
The InChIKey is AOPBSFKOYVUFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO3/c22-25-21-10-6-9-20(24-21)16-23-15-17-11-13-19(14-12-17)18-7-4-2-1-3-5-8-18/h11-14,18,20-21H,1-10,15-16,22H2.
What are the key properties of O-[6-[(4-cyclooctylphenyl)methoxymethyl]oxan-2-yl]hydroxylamine?
O-[6-[(4-cyclooctylphenyl)methoxymethyl]oxan-2-yl]hydroxylamine has a molecular weight of 347.50 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[6-[(4-cyclooctylphenyl)methoxymethyl]oxan-2-yl]hydroxylamine is sourced from PubChem (CID 142032402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).