(E)-1-methoxy-2-(methylamino)hex-4-en-3-ol

C8H17NO2 — CID 59728818

IUPAC(E)-1-methoxy-2-(methylamino)hex-4-en-3-ol
SMILESC/C=C/C(O)C(COC)NC
InChIInChI=1S/C8H17NO2/c1-4-5-8(10)7(9-2)6-11-3/h4-5,7-10H,6H2,1-3H3/b5-4+
InChIKeyVRAQIOLUQXRUMF-SNAWJCMRSA-N
MW159.23 g/mol
LogP0.16
Rot. Bonds5

About (E)-1-methoxy-2-(methylamino)hex-4-en-3-ol

(E)-1-methoxy-2-(methylamino)hex-4-en-3-ol (PubChem CID 59728818) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (E)-1-methoxy-2-(methylamino)hex-4-en-3-ol.

Molecular Properties

Compound Name(E)-1-methoxy-2-(methylamino)hex-4-en-3-ol
PubChem CID59728818
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(E)-1-methoxy-2-(methylamino)hex-4-en-3-ol
SMILESC/C=C/C(O)C(COC)NC
InChIInChI=1S/C8H17NO2/c1-4-5-8(10)7(9-2)6-11-3/h4-5,7-10H,6H2,1-3H3/b5-4+
InChIKeyVRAQIOLUQXRUMF-SNAWJCMRSA-N
XLogP0.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxy-2-(methylamino)hex-4-en-3-ol?
The IUPAC name of (E)-1-methoxy-2-(methylamino)hex-4-en-3-ol (CID 59728818) is (E)-1-methoxy-2-(methylamino)hex-4-en-3-ol.
What is the SMILES notation for (E)-1-methoxy-2-(methylamino)hex-4-en-3-ol?
The canonical SMILES for (E)-1-methoxy-2-(methylamino)hex-4-en-3-ol is C/C=C/C(O)C(COC)NC.
What is the InChIKey of (E)-1-methoxy-2-(methylamino)hex-4-en-3-ol?
The InChIKey is VRAQIOLUQXRUMF-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-5-8(10)7(9-2)6-11-3/h4-5,7-10H,6H2,1-3H3/b5-4+.
What are the key properties of (E)-1-methoxy-2-(methylamino)hex-4-en-3-ol?
(E)-1-methoxy-2-(methylamino)hex-4-en-3-ol has a molecular weight of 159.23 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxy-2-(methylamino)hex-4-en-3-ol is sourced from PubChem (CID 59728818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).