magnesium;2-pentan-2-yloxane;chloride

C10H19ClMgO — CID 163490029

IUPACmagnesium;2-pentan-2-yloxane;chloride
SMILES[CH2-]CCC(C)C1CCCCO1.[Cl-].[Mg+2]
InChIInChI=1S/C10H19O.ClH.Mg/c1-3-6-9(2)10-7-4-5-8-11-10;;/h9-10H,1,3-8H2,2H3;1H;/q-1;;+2/p-1
InChIKeyAVNXCFSUBPPALS-UHFFFAOYSA-M
MW215.02 g/mol
LogP-0.57
Rot. Bonds3

About magnesium;2-pentan-2-yloxane;chloride

magnesium;2-pentan-2-yloxane;chloride (PubChem CID 163490029) has the molecular formula C10H19ClMgO and a molecular weight of 215.02 g/mol. Its IUPAC name is magnesium;2-pentan-2-yloxane;chloride.

Molecular Properties

Compound Namemagnesium;2-pentan-2-yloxane;chloride
PubChem CID163490029
Molecular FormulaC10H19ClMgO
Molecular Weight215.02 g/mol
Exact Mass214.10
IUPAC Namemagnesium;2-pentan-2-yloxane;chloride
SMILES[CH2-]CCC(C)C1CCCCO1.[Cl-].[Mg+2]
InChIInChI=1S/C10H19O.ClH.Mg/c1-3-6-9(2)10-7-4-5-8-11-10;;/h9-10H,1,3-8H2,2H3;1H;/q-1;;+2/p-1
InChIKeyAVNXCFSUBPPALS-UHFFFAOYSA-M
XLogP-0.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.02
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-heptan-2-yloxane
CID 67835602
(2R)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 124662505
(2S)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 102227489
1,3-bis(oxan-2-yl)butan-1-ol
CID 173130770
N-[1,3-bis(oxan-2-yl)butyl]-1,3-bis(oxan-2-yl)butan-1-amine
CID 173131029
(1R)-N-methyl-1-[(2S)-oxan-2-yl]ethanamine
CID 144712346
2-(5,6-dimethyldecan-2-yl)oxolane
CID 144527054
2-methyl-1-(oxan-2-yl)pentan-1-amine
CID 107893762
1-[1-(oxan-2-yl)ethyl]cyclopropan-1-amine
CID 84765664
3-iodo-1-(oxan-2-yl)propan-1-ol
CID 57165332
2-(dimethoxymethyl)oxane
CID 101048405
1-(oxolan-2-yl)propane-1,2-diol
CID 142778097

Frequently Asked Questions

What is the IUPAC name of magnesium;2-pentan-2-yloxane;chloride?
The IUPAC name of magnesium;2-pentan-2-yloxane;chloride (CID 163490029) is magnesium;2-pentan-2-yloxane;chloride.
What is the SMILES notation for magnesium;2-pentan-2-yloxane;chloride?
The canonical SMILES for magnesium;2-pentan-2-yloxane;chloride is [CH2-]CCC(C)C1CCCCO1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-pentan-2-yloxane;chloride?
The InChIKey is AVNXCFSUBPPALS-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19O.ClH.Mg/c1-3-6-9(2)10-7-4-5-8-11-10;;/h9-10H,1,3-8H2,2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-pentan-2-yloxane;chloride?
magnesium;2-pentan-2-yloxane;chloride has a molecular weight of 215.02 g/mol, XLogP of -0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-pentan-2-yloxane;chloride is sourced from PubChem (CID 163490029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).