O-[(1Z,3E)-3-tert-butylpenta-1,3-dienyl]hydroxylamine

C9H17NO — CID 139342258

IUPACO-[(1Z,3E)-3-tert-butylpenta-1,3-dienyl]hydroxylamine
SMILESC/C=C(\C=C/ON)C(C)(C)C
InChIInChI=1S/C9H17NO/c1-5-8(6-7-11-10)9(2,3)4/h5-7H,10H2,1-4H3/b7-6-,8-5+
InChIKeyKUTJGPPBOSSGNK-WNXMRAAYSA-N
MW155.24 g/mol
LogP2.38
Rot. Bonds2

About O-[(1Z,3E)-3-tert-butylpenta-1,3-dienyl]hydroxylamine

O-[(1Z,3E)-3-tert-butylpenta-1,3-dienyl]hydroxylamine (PubChem CID 139342258) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is O-[(1Z,3E)-3-tert-butylpenta-1,3-dienyl]hydroxylamine.

Molecular Properties

Compound NameO-[(1Z,3E)-3-tert-butylpenta-1,3-dienyl]hydroxylamine
PubChem CID139342258
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameO-[(1Z,3E)-3-tert-butylpenta-1,3-dienyl]hydroxylamine
SMILESC/C=C(\C=C/ON)C(C)(C)C
InChIInChI=1S/C9H17NO/c1-5-8(6-7-11-10)9(2,3)4/h5-7H,10H2,1-4H3/b7-6-,8-5+
InChIKeyKUTJGPPBOSSGNK-WNXMRAAYSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[(1Z,3E)-3-tert-butylpenta-1,3-dienyl]hydroxylamine?
The IUPAC name of O-[(1Z,3E)-3-tert-butylpenta-1,3-dienyl]hydroxylamine (CID 139342258) is O-[(1Z,3E)-3-tert-butylpenta-1,3-dienyl]hydroxylamine.
What is the SMILES notation for O-[(1Z,3E)-3-tert-butylpenta-1,3-dienyl]hydroxylamine?
The canonical SMILES for O-[(1Z,3E)-3-tert-butylpenta-1,3-dienyl]hydroxylamine is C/C=C(\C=C/ON)C(C)(C)C.
What is the InChIKey of O-[(1Z,3E)-3-tert-butylpenta-1,3-dienyl]hydroxylamine?
The InChIKey is KUTJGPPBOSSGNK-WNXMRAAYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-8(6-7-11-10)9(2,3)4/h5-7H,10H2,1-4H3/b7-6-,8-5+.
What are the key properties of O-[(1Z,3E)-3-tert-butylpenta-1,3-dienyl]hydroxylamine?
O-[(1Z,3E)-3-tert-butylpenta-1,3-dienyl]hydroxylamine has a molecular weight of 155.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(1Z,3E)-3-tert-butylpenta-1,3-dienyl]hydroxylamine is sourced from PubChem (CID 139342258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).