(E)-4-nitrohex-4-en-2-ol

C6H11NO3 — CID 6433080

IUPAC(E)-4-nitrohex-4-en-2-ol
SMILESC/C=C(\CC(C)O)[N+](=O)[O-]
InChIInChI=1S/C6H11NO3/c1-3-6(7(9)10)4-5(2)8/h3,5,8H,4H2,1-2H3/b6-3+
InChIKeyRMCZAUBVAZUUIB-ZZXKWVIFSA-N
MW145.16 g/mol
LogP0.94
Rot. Bonds3

About (E)-4-nitrohex-4-en-2-ol

(E)-4-nitrohex-4-en-2-ol (PubChem CID 6433080) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (E)-4-nitrohex-4-en-2-ol.

Molecular Properties

Compound Name(E)-4-nitrohex-4-en-2-ol
PubChem CID6433080
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(E)-4-nitrohex-4-en-2-ol
SMILESC/C=C(\CC(C)O)[N+](=O)[O-]
InChIInChI=1S/C6H11NO3/c1-3-6(7(9)10)4-5(2)8/h3,5,8H,4H2,1-2H3/b6-3+
InChIKeyRMCZAUBVAZUUIB-ZZXKWVIFSA-N
XLogP0.94
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 (E)-4-nitrohex-4-en-2-ol?
The IUPAC name of (E)-4-nitrohex-4-en-2-ol (CID 6433080) is (E)-4-nitrohex-4-en-2-ol.
What is the SMILES notation for (E)-4-nitrohex-4-en-2-ol?
The canonical SMILES for (E)-4-nitrohex-4-en-2-ol is C/C=C(\CC(C)O)[N+](=O)[O-].
What is the InChIKey of (E)-4-nitrohex-4-en-2-ol?
The InChIKey is RMCZAUBVAZUUIB-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-6(7(9)10)4-5(2)8/h3,5,8H,4H2,1-2H3/b6-3+.
What are the key properties of (E)-4-nitrohex-4-en-2-ol?
(E)-4-nitrohex-4-en-2-ol has a molecular weight of 145.16 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-nitrohex-4-en-2-ol is sourced from PubChem (CID 6433080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).