(4-ethylhexan-3-ylideneamino) hypochlorite

C8H16ClNO — CID 175509081

IUPAC(4-ethylhexan-3-ylideneamino) hypochlorite
SMILESCCC(=NOCl)C(CC)CC
InChIInChI=1S/C8H16ClNO/c1-4-7(5-2)8(6-3)10-11-9/h7H,4-6H2,1-3H3
InChIKeyPOLDJJYIMOWMLK-UHFFFAOYSA-N
MW177.67 g/mol
LogP3.36
Rot. Bonds5

About (4-ethylhexan-3-ylideneamino) hypochlorite

(4-ethylhexan-3-ylideneamino) hypochlorite (PubChem CID 175509081) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is (4-ethylhexan-3-ylideneamino) hypochlorite.

Molecular Properties

Compound Name(4-ethylhexan-3-ylideneamino) hypochlorite
PubChem CID175509081
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name(4-ethylhexan-3-ylideneamino) hypochlorite
SMILESCCC(=NOCl)C(CC)CC
InChIInChI=1S/C8H16ClNO/c1-4-7(5-2)8(6-3)10-11-9/h7H,4-6H2,1-3H3
InChIKeyPOLDJJYIMOWMLK-UHFFFAOYSA-N
XLogP3.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-2-methylpentan-3-imine
CID 72584290
2-ethyl-N-hydroxybutanimidoyl chloride
CID 72760486
(4E)-4-hydroxyiminohexan-3-ol
CID 22415949
2-methyl-N-(2-methylpentan-3-ylideneamino)pentan-3-imine
CID 131880639
[(E)-2-methylpentan-3-ylideneamino] carbamate
CID 172920037
3-ethyl-5-fluoropentan-2-one
CID 80696730
pentan-3-ol
CID 11428
(2R)-2-(hydroxymethyl)butanoic acid
CID 11586303
(2E)-2-methoxyiminopentane-1,3-diol
CID 177408186
1-cyclopropyl-N,2-diethylbutan-1-imine
CID 90905746
ethyl 2-ethylbutanoate;λ2-stannane
CID 175348208
2-ethylbutanoylperoxy 2-ethylbutaneperoxoate
CID 56625964

Frequently Asked Questions

What is the IUPAC name of (4-ethylhexan-3-ylideneamino) hypochlorite?
The IUPAC name of (4-ethylhexan-3-ylideneamino) hypochlorite (CID 175509081) is (4-ethylhexan-3-ylideneamino) hypochlorite.
What is the SMILES notation for (4-ethylhexan-3-ylideneamino) hypochlorite?
The canonical SMILES for (4-ethylhexan-3-ylideneamino) hypochlorite is CCC(=NOCl)C(CC)CC.
What is the InChIKey of (4-ethylhexan-3-ylideneamino) hypochlorite?
The InChIKey is POLDJJYIMOWMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-4-7(5-2)8(6-3)10-11-9/h7H,4-6H2,1-3H3.
What are the key properties of (4-ethylhexan-3-ylideneamino) hypochlorite?
(4-ethylhexan-3-ylideneamino) hypochlorite has a molecular weight of 177.67 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylhexan-3-ylideneamino) hypochlorite is sourced from PubChem (CID 175509081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).