magnesium;2-methylpentan-3-ol;dichloride

C6H14Cl2MgO — CID 175030591

IUPACmagnesium;2-methylpentan-3-ol;dichloride
SMILESCCC(O)C(C)C.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C6H14O.2ClH.Mg/c1-4-6(7)5(2)3;;;/h5-7H,4H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyKSKWJOBEUIMQFJ-UHFFFAOYSA-L
MW197.39 g/mol
LogP-4.96
Rot. Bonds2

About magnesium;2-methylpentan-3-ol;dichloride

magnesium;2-methylpentan-3-ol;dichloride (PubChem CID 175030591) has the molecular formula C6H14Cl2MgO and a molecular weight of 197.39 g/mol. Its IUPAC name is magnesium;2-methylpentan-3-ol;dichloride.

Molecular Properties

Compound Namemagnesium;2-methylpentan-3-ol;dichloride
PubChem CID175030591
Molecular FormulaC6H14Cl2MgO
Molecular Weight197.39 g/mol
Exact Mass196.03
IUPAC Namemagnesium;2-methylpentan-3-ol;dichloride
SMILESCCC(O)C(C)C.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C6H14O.2ClH.Mg/c1-4-6(7)5(2)3;;;/h5-7H,4H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyKSKWJOBEUIMQFJ-UHFFFAOYSA-L
XLogP-4.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.39
LogP ≤ 5-4.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

pentakis(2,4-dimethylpentan-3-ol);methane;(3R)-5-methylhexan-3-ol;(3S)-5-methylhexan-3-ol;5-methylhexan-3-ol;2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;(3S)-2-methylpentan-3-ol
CID 158783956
(3R,5S)-2-methylheptane-3,5-diol
CID 134975800
(2S)-2-propan-2-ylpentane-1,3-diol
CID 59911349
(3R,4S,6R,7R)-4,6-dimethylnonane-3,5,7-triol
CID 10488429
3-methylbutane-1,2-diol;propane
CID 87383548
(2S,3S,4R)-hexane-2,3,4-triol
CID 91758700
3-methylhexane-2,4-diol
CID 22245660
(3S,4R)-4-iodohexan-3-ol
CID 101027054
(3S)-4-propan-2-ylhept-6-en-3-ol
CID 59039473
(3S,4S,5R,6S,7S)-2,4,6-trimethylnonane-3,5,7-triol
CID 101070481
(3S)-4-methoxy-5-methylhexan-3-ol
CID 59039386
(3S)-4-propan-2-ylheptan-3-ol
CID 59039542

Frequently Asked Questions

What is the IUPAC name of magnesium;2-methylpentan-3-ol;dichloride?
The IUPAC name of magnesium;2-methylpentan-3-ol;dichloride (CID 175030591) is magnesium;2-methylpentan-3-ol;dichloride.
What is the SMILES notation for magnesium;2-methylpentan-3-ol;dichloride?
The canonical SMILES for magnesium;2-methylpentan-3-ol;dichloride is CCC(O)C(C)C.[Cl-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-methylpentan-3-ol;dichloride?
The InChIKey is KSKWJOBEUIMQFJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H14O.2ClH.Mg/c1-4-6(7)5(2)3;;;/h5-7H,4H2,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of magnesium;2-methylpentan-3-ol;dichloride?
magnesium;2-methylpentan-3-ol;dichloride has a molecular weight of 197.39 g/mol, XLogP of -4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-methylpentan-3-ol;dichloride is sourced from PubChem (CID 175030591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).