magnesium 3-methanidyl-3,4-dimethyl-1-(oxiran-2-yl)pent-4-en-1-olate

C10H16MgO2 — CID 15978784

IUPACmagnesium 3-methanidyl-3,4-dimethyl-1-(oxiran-2-yl)pent-4-en-1-olate
SMILESC=C(C)C([CH2-])(C)CC([O-])C1CO1.[Mg+2]
InChIInChI=1S/C10H16O2.Mg/c1-7(2)10(3,4)5-8(11)9-6-12-9;/h8-9H,1,3,5-6H2,2,4H3;/q-2;+2
InChIKeyGNRTUMKHRPIGFV-UHFFFAOYSA-N
MW192.54 g/mol
LogP0.54
Rot. Bonds4

About magnesium 3-methanidyl-3,4-dimethyl-1-(oxiran-2-yl)pent-4-en-1-olate

magnesium 3-methanidyl-3,4-dimethyl-1-(oxiran-2-yl)pent-4-en-1-olate (PubChem CID 15978784) has the molecular formula C10H16MgO2 and a molecular weight of 192.54 g/mol. Its IUPAC name is magnesium 3-methanidyl-3,4-dimethyl-1-(oxiran-2-yl)pent-4-en-1-olate.

Molecular Properties

Compound Namemagnesium 3-methanidyl-3,4-dimethyl-1-(oxiran-2-yl)pent-4-en-1-olate
PubChem CID15978784
Molecular FormulaC10H16MgO2
Molecular Weight192.54 g/mol
Exact Mass192.10
IUPAC Namemagnesium 3-methanidyl-3,4-dimethyl-1-(oxiran-2-yl)pent-4-en-1-olate
SMILESC=C(C)C([CH2-])(C)CC([O-])C1CO1.[Mg+2]
InChIInChI=1S/C10H16O2.Mg/c1-7(2)10(3,4)5-8(11)9-6-12-9;/h8-9H,1,3,5-6H2,2,4H3;/q-2;+2
InChIKeyGNRTUMKHRPIGFV-UHFFFAOYSA-N
XLogP0.54
TPSA35.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.54
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium 3-methanidyl-3,4-dimethyl-1-(oxiran-2-yl)pent-4-en-1-olate?
The IUPAC name of magnesium 3-methanidyl-3,4-dimethyl-1-(oxiran-2-yl)pent-4-en-1-olate (CID 15978784) is magnesium 3-methanidyl-3,4-dimethyl-1-(oxiran-2-yl)pent-4-en-1-olate.
What is the SMILES notation for magnesium 3-methanidyl-3,4-dimethyl-1-(oxiran-2-yl)pent-4-en-1-olate?
The canonical SMILES for magnesium 3-methanidyl-3,4-dimethyl-1-(oxiran-2-yl)pent-4-en-1-olate is C=C(C)C([CH2-])(C)CC([O-])C1CO1.[Mg+2].
What is the InChIKey of magnesium 3-methanidyl-3,4-dimethyl-1-(oxiran-2-yl)pent-4-en-1-olate?
The InChIKey is GNRTUMKHRPIGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.Mg/c1-7(2)10(3,4)5-8(11)9-6-12-9;/h8-9H,1,3,5-6H2,2,4H3;/q-2;+2.
What are the key properties of magnesium 3-methanidyl-3,4-dimethyl-1-(oxiran-2-yl)pent-4-en-1-olate?
magnesium 3-methanidyl-3,4-dimethyl-1-(oxiran-2-yl)pent-4-en-1-olate has a molecular weight of 192.54 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 3-methanidyl-3,4-dimethyl-1-(oxiran-2-yl)pent-4-en-1-olate is sourced from PubChem (CID 15978784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).