(3R,4E)-4-hydroxyimino-2,2,3-trimethylpentan-3-ol

C8H17NO2 — CID 98524716

IUPAC(3R,4E)-4-hydroxyimino-2,2,3-trimethylpentan-3-ol
SMILESC/C(=N\O)[C@](C)(O)C(C)(C)C
InChIInChI=1S/C8H17NO2/c1-6(9-11)8(5,10)7(2,3)4/h10-11H,1-5H3/b9-6+/t8-/m0/s1
InChIKeyQGRRJPVHBNXKQB-CYXIBPNKSA-N
MW159.23 g/mol
LogP1.63
Rot. Bonds1

About (3R,4E)-4-hydroxyimino-2,2,3-trimethylpentan-3-ol

(3R,4E)-4-hydroxyimino-2,2,3-trimethylpentan-3-ol (PubChem CID 98524716) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (3R,4E)-4-hydroxyimino-2,2,3-trimethylpentan-3-ol.

Molecular Properties

Compound Name(3R,4E)-4-hydroxyimino-2,2,3-trimethylpentan-3-ol
PubChem CID98524716
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(3R,4E)-4-hydroxyimino-2,2,3-trimethylpentan-3-ol
SMILESC/C(=N\O)[C@](C)(O)C(C)(C)C
InChIInChI=1S/C8H17NO2/c1-6(9-11)8(5,10)7(2,3)4/h10-11H,1-5H3/b9-6+/t8-/m0/s1
InChIKeyQGRRJPVHBNXKQB-CYXIBPNKSA-N
XLogP1.63
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.63
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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Frequently Asked Questions

What is the IUPAC name of (3R,4E)-4-hydroxyimino-2,2,3-trimethylpentan-3-ol?
The IUPAC name of (3R,4E)-4-hydroxyimino-2,2,3-trimethylpentan-3-ol (CID 98524716) is (3R,4E)-4-hydroxyimino-2,2,3-trimethylpentan-3-ol.
What is the SMILES notation for (3R,4E)-4-hydroxyimino-2,2,3-trimethylpentan-3-ol?
The canonical SMILES for (3R,4E)-4-hydroxyimino-2,2,3-trimethylpentan-3-ol is C/C(=N\O)[C@](C)(O)C(C)(C)C.
What is the InChIKey of (3R,4E)-4-hydroxyimino-2,2,3-trimethylpentan-3-ol?
The InChIKey is QGRRJPVHBNXKQB-CYXIBPNKSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(9-11)8(5,10)7(2,3)4/h10-11H,1-5H3/b9-6+/t8-/m0/s1.
What are the key properties of (3R,4E)-4-hydroxyimino-2,2,3-trimethylpentan-3-ol?
(3R,4E)-4-hydroxyimino-2,2,3-trimethylpentan-3-ol has a molecular weight of 159.23 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4E)-4-hydroxyimino-2,2,3-trimethylpentan-3-ol is sourced from PubChem (CID 98524716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).