magnesium;2-methyl-2-propyl-1,3-dioxolane;chloride

C7H13ClMgO2 — CID 175190409

IUPACmagnesium;2-methyl-2-propyl-1,3-dioxolane;chloride
SMILESC[CH-]CC1(C)OCCO1.[Cl-].[Mg+2]
InChIInChI=1S/C7H13O2.ClH.Mg/c1-3-4-7(2)8-5-6-9-7;;/h3H,4-6H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyWVXHSQRJYMOFKV-UHFFFAOYSA-M
MW188.94 g/mol
LogP-2.01
Rot. Bonds2

About magnesium;2-methyl-2-propyl-1,3-dioxolane;chloride

magnesium;2-methyl-2-propyl-1,3-dioxolane;chloride (PubChem CID 175190409) has the molecular formula C7H13ClMgO2 and a molecular weight of 188.94 g/mol. Its IUPAC name is magnesium;2-methyl-2-propyl-1,3-dioxolane;chloride.

Molecular Properties

Compound Namemagnesium;2-methyl-2-propyl-1,3-dioxolane;chloride
PubChem CID175190409
Molecular FormulaC7H13ClMgO2
Molecular Weight188.94 g/mol
Exact Mass188.05
IUPAC Namemagnesium;2-methyl-2-propyl-1,3-dioxolane;chloride
SMILESC[CH-]CC1(C)OCCO1.[Cl-].[Mg+2]
InChIInChI=1S/C7H13O2.ClH.Mg/c1-3-4-7(2)8-5-6-9-7;;/h3H,4-6H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyWVXHSQRJYMOFKV-UHFFFAOYSA-M
XLogP-2.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.94
LogP ≤ 5-2.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze magnesium;2-methyl-2-propyl-1,3-dioxolane;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of magnesium;2-methyl-2-propyl-1,3-dioxolane;chloride?
The IUPAC name of magnesium;2-methyl-2-propyl-1,3-dioxolane;chloride (CID 175190409) is magnesium;2-methyl-2-propyl-1,3-dioxolane;chloride.
What is the SMILES notation for magnesium;2-methyl-2-propyl-1,3-dioxolane;chloride?
The canonical SMILES for magnesium;2-methyl-2-propyl-1,3-dioxolane;chloride is C[CH-]CC1(C)OCCO1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-methyl-2-propyl-1,3-dioxolane;chloride?
The InChIKey is WVXHSQRJYMOFKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13O2.ClH.Mg/c1-3-4-7(2)8-5-6-9-7;;/h3H,4-6H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-methyl-2-propyl-1,3-dioxolane;chloride?
magnesium;2-methyl-2-propyl-1,3-dioxolane;chloride has a molecular weight of 188.94 g/mol, XLogP of -2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-methyl-2-propyl-1,3-dioxolane;chloride is sourced from PubChem (CID 175190409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).