(E)-1-methoxy-4-methyl-2-(methylamino)hept-5-en-3-ol

C10H21NO2 — CID 59728820

IUPAC(E)-1-methoxy-4-methyl-2-(methylamino)hept-5-en-3-ol
SMILESC/C=C/C(C)C(O)C(COC)NC
InChIInChI=1S/C10H21NO2/c1-5-6-8(2)10(12)9(11-3)7-13-4/h5-6,8-12H,7H2,1-4H3/b6-5+
InChIKeyJKWUVJGXZBZHDP-AATRIKPKSA-N
MW187.28 g/mol
LogP0.79
Rot. Bonds6

About (E)-1-methoxy-4-methyl-2-(methylamino)hept-5-en-3-ol

(E)-1-methoxy-4-methyl-2-(methylamino)hept-5-en-3-ol (PubChem CID 59728820) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (E)-1-methoxy-4-methyl-2-(methylamino)hept-5-en-3-ol.

Molecular Properties

Compound Name(E)-1-methoxy-4-methyl-2-(methylamino)hept-5-en-3-ol
PubChem CID59728820
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(E)-1-methoxy-4-methyl-2-(methylamino)hept-5-en-3-ol
SMILESC/C=C/C(C)C(O)C(COC)NC
InChIInChI=1S/C10H21NO2/c1-5-6-8(2)10(12)9(11-3)7-13-4/h5-6,8-12H,7H2,1-4H3/b6-5+
InChIKeyJKWUVJGXZBZHDP-AATRIKPKSA-N
XLogP0.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.79
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-4-methyl-2-(methylamino)hept-5-en-3-ol?
The IUPAC name of (E)-1-methoxy-4-methyl-2-(methylamino)hept-5-en-3-ol (CID 59728820) is (E)-1-methoxy-4-methyl-2-(methylamino)hept-5-en-3-ol.
What is the SMILES notation for (E)-1-methoxy-4-methyl-2-(methylamino)hept-5-en-3-ol?
The canonical SMILES for (E)-1-methoxy-4-methyl-2-(methylamino)hept-5-en-3-ol is C/C=C/C(C)C(O)C(COC)NC.
What is the InChIKey of (E)-1-methoxy-4-methyl-2-(methylamino)hept-5-en-3-ol?
The InChIKey is JKWUVJGXZBZHDP-AATRIKPKSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-6-8(2)10(12)9(11-3)7-13-4/h5-6,8-12H,7H2,1-4H3/b6-5+.
What are the key properties of (E)-1-methoxy-4-methyl-2-(methylamino)hept-5-en-3-ol?
(E)-1-methoxy-4-methyl-2-(methylamino)hept-5-en-3-ol has a molecular weight of 187.28 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxy-4-methyl-2-(methylamino)hept-5-en-3-ol is sourced from PubChem (CID 59728820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).