(4E)-4-hydroxyiminohexan-3-ol

C6H13NO2 — CID 22415949

IUPAC(4E)-4-hydroxyiminohexan-3-ol
SMILESCC/C(=N\O)C(O)CC
InChIInChI=1S/C6H13NO2/c1-3-5(7-9)6(8)4-2/h6,8-9H,3-4H2,1-2H3/b7-5+
InChIKeyJYCWLTUXBOMDKT-FNORWQNLSA-N
MW131.18 g/mol
LogP1.00
Rot. Bonds3

About (4E)-4-hydroxyiminohexan-3-ol

(4E)-4-hydroxyiminohexan-3-ol (PubChem CID 22415949) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (4E)-4-hydroxyiminohexan-3-ol.

Molecular Properties

Compound Name(4E)-4-hydroxyiminohexan-3-ol
PubChem CID22415949
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(4E)-4-hydroxyiminohexan-3-ol
SMILESCC/C(=N\O)C(O)CC
InChIInChI=1S/C6H13NO2/c1-3-5(7-9)6(8)4-2/h6,8-9H,3-4H2,1-2H3/b7-5+
InChIKeyJYCWLTUXBOMDKT-FNORWQNLSA-N
XLogP1.00
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[2-[2-[[(3Z)-3-hydroxyiminopentan-2-yl]amino]ethylamino]pentan-3-ylidene]hydroxylamine
CID 101001650
(2E)-2-methoxyiminopentane-1,3-diol
CID 177408186
(NZ)-N-(2-nitropentan-3-ylidene)hydroxylamine
CID 21313717
pentan-3-ol
CID 11428
N-[2-[3-(3-hydroxyiminopentan-2-ylamino)propylamino]pentan-3-ylidene]hydroxylamine
CID 165355226
N-(3-methylheptan-4-ylidene)hydroxylamine
CID 88758606
pentan-3-ol;dihydrochloride
CID 141116397
5-hydroxyheptane-3,4-dione
CID 89212565
2-methyl-N-(2-methylpentan-3-ylideneamino)pentan-3-imine
CID 131880639
pent-1-ene-2,3-diol
CID 87754031
(Z)-8,9-dimethyl-4-methyliminodec-6-en-3-ol
CID 130195067
O-ethyl [(3Z)-3-hydroxyiminopentan-2-yl]sulfanylmethanethioate
CID 177387615

Frequently Asked Questions

What is the IUPAC name of (4E)-4-hydroxyiminohexan-3-ol?
The IUPAC name of (4E)-4-hydroxyiminohexan-3-ol (CID 22415949) is (4E)-4-hydroxyiminohexan-3-ol.
What is the SMILES notation for (4E)-4-hydroxyiminohexan-3-ol?
The canonical SMILES for (4E)-4-hydroxyiminohexan-3-ol is CC/C(=N\O)C(O)CC.
What is the InChIKey of (4E)-4-hydroxyiminohexan-3-ol?
The InChIKey is JYCWLTUXBOMDKT-FNORWQNLSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-5(7-9)6(8)4-2/h6,8-9H,3-4H2,1-2H3/b7-5+.
What are the key properties of (4E)-4-hydroxyiminohexan-3-ol?
(4E)-4-hydroxyiminohexan-3-ol has a molecular weight of 131.18 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-hydroxyiminohexan-3-ol is sourced from PubChem (CID 22415949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).