magnesium;1-chloro-2-methylhexane;hydride

C7H17ClMg — CID 173396066

IUPACmagnesium;1-chloro-2-methylhexane;hydride
SMILESCCCCC(C)CCl.[H-].[H-].[Mg+2]
InChIInChI=1S/C7H15Cl.Mg.2H/c1-3-4-5-7(2)6-8;;;/h7H,3-6H2,1-2H3;;;/q;+2;2*-1
InChIKeyKLVDNHVTJPGCKA-UHFFFAOYSA-N
MW160.97 g/mol
LogP2.90
Rot. Bonds4

About magnesium;1-chloro-2-methylhexane;hydride

magnesium;1-chloro-2-methylhexane;hydride (PubChem CID 173396066) has the molecular formula C7H17ClMg and a molecular weight of 160.97 g/mol. Its IUPAC name is magnesium;1-chloro-2-methylhexane;hydride.

Molecular Properties

Compound Namemagnesium;1-chloro-2-methylhexane;hydride
PubChem CID173396066
Molecular FormulaC7H17ClMg
Molecular Weight160.97 g/mol
Exact Mass160.09
IUPAC Namemagnesium;1-chloro-2-methylhexane;hydride
SMILESCCCCC(C)CCl.[H-].[H-].[Mg+2]
InChIInChI=1S/C7H15Cl.Mg.2H/c1-3-4-5-7(2)6-8;;;/h7H,3-6H2,1-2H3;;;/q;+2;2*-1
InChIKeyKLVDNHVTJPGCKA-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.97
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze magnesium;1-chloro-2-methylhexane;hydride with MolForge

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

Launch Full Analysis

Related Compounds

calcium;hydride;3-methylheptane
CID 174879723
1,8-dichloro-2-methyloctane
CID 154320293
4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-methylbutane
CID 104568686
5-methyloctatriacontane
CID 527416
(5S)-5-methylnonadecane
CID 170848384
5,13,19-trimethylheptatriacontane
CID 172565409
5,23-dimethyltritriacontane
CID 71339926
5,17-dimethylnonacosane
CID 56936184
5,15-dimethylpentatriacontane
CID 6430641
5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472
5,9,17-trimethylhenicosane
CID 123913465

Frequently Asked Questions

What is the IUPAC name of magnesium;1-chloro-2-methylhexane;hydride?
The IUPAC name of magnesium;1-chloro-2-methylhexane;hydride (CID 173396066) is magnesium;1-chloro-2-methylhexane;hydride.
What is the SMILES notation for magnesium;1-chloro-2-methylhexane;hydride?
The canonical SMILES for magnesium;1-chloro-2-methylhexane;hydride is CCCCC(C)CCl.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;1-chloro-2-methylhexane;hydride?
The InChIKey is KLVDNHVTJPGCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15Cl.Mg.2H/c1-3-4-5-7(2)6-8;;;/h7H,3-6H2,1-2H3;;;/q;+2;2*-1.
What are the key properties of magnesium;1-chloro-2-methylhexane;hydride?
magnesium;1-chloro-2-methylhexane;hydride has a molecular weight of 160.97 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-chloro-2-methylhexane;hydride is sourced from PubChem (CID 173396066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).