magnesium;octylbenzene;chloride

C14H21ClMg — CID 88593205

IUPACmagnesium;octylbenzene;chloride
SMILESCCCCCCCCc1[c-]cccc1.[Cl-].[Mg+2]
InChIInChI=1S/C14H21.ClH.Mg/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;;/h7,9-10,12H,2-6,8,11H2,1H3;1H;/q-1;;+2/p-1
InChIKeyUUWKWNIELHQAMY-UHFFFAOYSA-M
MW249.08 g/mol
LogP1.01
Rot. Bonds7

About magnesium;octylbenzene;chloride

magnesium;octylbenzene;chloride (PubChem CID 88593205) has the molecular formula C14H21ClMg and a molecular weight of 249.08 g/mol. Its IUPAC name is magnesium;octylbenzene;chloride.

Molecular Properties

Compound Namemagnesium;octylbenzene;chloride
PubChem CID88593205
Molecular FormulaC14H21ClMg
Molecular Weight249.08 g/mol
Exact Mass248.12
IUPAC Namemagnesium;octylbenzene;chloride
SMILESCCCCCCCCc1[c-]cccc1.[Cl-].[Mg+2]
InChIInChI=1S/C14H21.ClH.Mg/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;;/h7,9-10,12H,2-6,8,11H2,1H3;1H;/q-1;;+2/p-1
InChIKeyUUWKWNIELHQAMY-UHFFFAOYSA-M
XLogP1.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 51.01
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

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dodecylbenzene;molybdenum
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dioxomolybdenum;dodecylbenzene
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trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;dodecylbenzene
CID 162265086
sodium;decylbenzene;propanedioic acid
CID 174968000
magnesium;hexylsulfanylbenzene;bromide
CID 91656187
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1,2-di(undecyl)benzene
CID 3019479
magnesium;2-methylpropane;octoxybenzene;hydrobromide
CID 87198466

Frequently Asked Questions

What is the IUPAC name of magnesium;octylbenzene;chloride?
The IUPAC name of magnesium;octylbenzene;chloride (CID 88593205) is magnesium;octylbenzene;chloride.
What is the SMILES notation for magnesium;octylbenzene;chloride?
The canonical SMILES for magnesium;octylbenzene;chloride is CCCCCCCCc1[c-]cccc1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;octylbenzene;chloride?
The InChIKey is UUWKWNIELHQAMY-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H21.ClH.Mg/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;;/h7,9-10,12H,2-6,8,11H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;octylbenzene;chloride?
magnesium;octylbenzene;chloride has a molecular weight of 249.08 g/mol, XLogP of 1.01, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;octylbenzene;chloride is sourced from PubChem (CID 88593205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).