magnesium;butane;2-methylheptane

C12H26Mg — CID 154098905

IUPACmagnesium;butane;2-methylheptane
SMILESC[CH-]CC.[CH2-]CCCCC(C)C.[Mg+2]
InChIInChI=1S/C8H17.C4H9.Mg/c1-4-5-6-7-8(2)3;1-3-4-2;/h8H,1,4-7H2,2-3H3;3H,4H2,1-2H3;/q2*-1;+2
InChIKeyQSLYEPFNIROUPV-UHFFFAOYSA-N
MW194.64 g/mol
LogP4.28
Rot. Bonds5

About magnesium;butane;2-methylheptane

magnesium;butane;2-methylheptane (PubChem CID 154098905) has the molecular formula C12H26Mg and a molecular weight of 194.64 g/mol. Its IUPAC name is magnesium;butane;2-methylheptane.

Molecular Properties

Compound Namemagnesium;butane;2-methylheptane
PubChem CID154098905
Molecular FormulaC12H26Mg
Molecular Weight194.64 g/mol
Exact Mass194.19
IUPAC Namemagnesium;butane;2-methylheptane
SMILESC[CH-]CC.[CH2-]CCCCC(C)C.[Mg+2]
InChIInChI=1S/C8H17.C4H9.Mg/c1-4-5-6-7-8(2)3;1-3-4-2;/h8H,1,4-7H2,2-3H3;3H,4H2,1-2H3;/q2*-1;+2
InChIKeyQSLYEPFNIROUPV-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.64
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

magnesium;2-methylheptane;propane
CID 140617225
cobalt;2-methylheptane
CID 170567086
tris(2-methylheptadecane);titanium(3+)
CID 23174974
2-methylnonane;titanium;hydrate
CID 174186153
2-methyloctane;titanium(4+);trihydroxide
CID 174186181
tetrakis(2-methylhexane);titanium(4+)
CID 164789244
zinc;butane;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;2-methylheptane
CID 174448716
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2-methylbutane;2-methyltridecane
CID 54106775
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
cobalt;2-methylheptane
CID 175521472

Frequently Asked Questions

What is the IUPAC name of magnesium;butane;2-methylheptane?
The IUPAC name of magnesium;butane;2-methylheptane (CID 154098905) is magnesium;butane;2-methylheptane.
What is the SMILES notation for magnesium;butane;2-methylheptane?
The canonical SMILES for magnesium;butane;2-methylheptane is C[CH-]CC.[CH2-]CCCCC(C)C.[Mg+2].
What is the InChIKey of magnesium;butane;2-methylheptane?
The InChIKey is QSLYEPFNIROUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17.C4H9.Mg/c1-4-5-6-7-8(2)3;1-3-4-2;/h8H,1,4-7H2,2-3H3;3H,4H2,1-2H3;/q2*-1;+2.
What are the key properties of magnesium;butane;2-methylheptane?
magnesium;butane;2-methylheptane has a molecular weight of 194.64 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butane;2-methylheptane is sourced from PubChem (CID 154098905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).