O-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]hydroxylamine

C10H21NO2 — CID 130189173

IUPACO-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]hydroxylamine
SMILESCCC1O[C@@H](ON)C(C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C10H21NO2/c1-5-9-7(3)6(2)8(4)10(12-9)13-11/h6-10H,5,11H2,1-4H3/t6-,7-,8?,9?,10-/m0/s1
InChIKeyFMDSNRIGKQOPBC-MPJGXYLBSA-N
MW187.28 g/mol
LogP1.92
Rot. Bonds2

About O-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]hydroxylamine

O-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]hydroxylamine (PubChem CID 130189173) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is O-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]hydroxylamine
PubChem CID130189173
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameO-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]hydroxylamine
SMILESCCC1O[C@@H](ON)C(C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C10H21NO2/c1-5-9-7(3)6(2)8(4)10(12-9)13-11/h6-10H,5,11H2,1-4H3/t6-,7-,8?,9?,10-/m0/s1
InChIKeyFMDSNRIGKQOPBC-MPJGXYLBSA-N
XLogP1.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]hydroxylamine?
The IUPAC name of O-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]hydroxylamine (CID 130189173) is O-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]hydroxylamine.
What is the SMILES notation for O-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]hydroxylamine?
The canonical SMILES for O-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]hydroxylamine is CCC1O[C@@H](ON)C(C)[C@@H](C)[C@@H]1C.
What is the InChIKey of O-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]hydroxylamine?
The InChIKey is FMDSNRIGKQOPBC-MPJGXYLBSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-9-7(3)6(2)8(4)10(12-9)13-11/h6-10H,5,11H2,1-4H3/t6-,7-,8?,9?,10-/m0/s1.
What are the key properties of O-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]hydroxylamine?
O-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]hydroxylamine has a molecular weight of 187.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]hydroxylamine is sourced from PubChem (CID 130189173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).