O-[(E)-4-iodo-2,2-dimethylhept-3-en-3-yl]hydroxylamine

C9H18INO — CID 154951737

IUPACO-[(E)-4-iodo-2,2-dimethylhept-3-en-3-yl]hydroxylamine
SMILESCCC/C(I)=C(\ON)C(C)(C)C
InChIInChI=1S/C9H18INO/c1-5-6-7(10)8(12-11)9(2,3)4/h5-6,11H2,1-4H3/b8-7+
InChIKeyXDNDKZNBOILPIQ-BQYQJAHWSA-N
MW283.15 g/mol
LogP3.37
Rot. Bonds3

About O-[(E)-4-iodo-2,2-dimethylhept-3-en-3-yl]hydroxylamine

O-[(E)-4-iodo-2,2-dimethylhept-3-en-3-yl]hydroxylamine (PubChem CID 154951737) has the molecular formula C9H18INO and a molecular weight of 283.15 g/mol. Its IUPAC name is O-[(E)-4-iodo-2,2-dimethylhept-3-en-3-yl]hydroxylamine.

Molecular Properties

Compound NameO-[(E)-4-iodo-2,2-dimethylhept-3-en-3-yl]hydroxylamine
PubChem CID154951737
Molecular FormulaC9H18INO
Molecular Weight283.15 g/mol
Exact Mass283.04
IUPAC NameO-[(E)-4-iodo-2,2-dimethylhept-3-en-3-yl]hydroxylamine
SMILESCCC/C(I)=C(\ON)C(C)(C)C
InChIInChI=1S/C9H18INO/c1-5-6-7(10)8(12-11)9(2,3)4/h5-6,11H2,1-4H3/b8-7+
InChIKeyXDNDKZNBOILPIQ-BQYQJAHWSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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 O-[(E)-4-iodo-2,2-dimethylhept-3-en-3-yl]hydroxylamine?
The IUPAC name of O-[(E)-4-iodo-2,2-dimethylhept-3-en-3-yl]hydroxylamine (CID 154951737) is O-[(E)-4-iodo-2,2-dimethylhept-3-en-3-yl]hydroxylamine.
What is the SMILES notation for O-[(E)-4-iodo-2,2-dimethylhept-3-en-3-yl]hydroxylamine?
The canonical SMILES for O-[(E)-4-iodo-2,2-dimethylhept-3-en-3-yl]hydroxylamine is CCC/C(I)=C(\ON)C(C)(C)C.
What is the InChIKey of O-[(E)-4-iodo-2,2-dimethylhept-3-en-3-yl]hydroxylamine?
The InChIKey is XDNDKZNBOILPIQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H18INO/c1-5-6-7(10)8(12-11)9(2,3)4/h5-6,11H2,1-4H3/b8-7+.
What are the key properties of O-[(E)-4-iodo-2,2-dimethylhept-3-en-3-yl]hydroxylamine?
O-[(E)-4-iodo-2,2-dimethylhept-3-en-3-yl]hydroxylamine has a molecular weight of 283.15 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(E)-4-iodo-2,2-dimethylhept-3-en-3-yl]hydroxylamine is sourced from PubChem (CID 154951737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).