magnesium;2-methylpropane;octoxybenzene;hydrobromide

C18H31BrMgO — CID 87198466

IUPACmagnesium;2-methylpropane;octoxybenzene;hydrobromide
SMILESBr.CCCCCCCCOc1[c-]cccc1.C[C-](C)C.[Mg+2]
InChIInChI=1S/C14H21O.C4H9.BrH.Mg/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14;1-4(2)3;;/h7-9,11H,2-6,10,13H2,1H3;1-3H3;1H;/q2*-1;;+2
InChIKeyYPEDEWSDIXEGPS-UHFFFAOYSA-N
MW367.65 g/mol
LogP6.04
Rot. Bonds8

About magnesium;2-methylpropane;octoxybenzene;hydrobromide

magnesium;2-methylpropane;octoxybenzene;hydrobromide (PubChem CID 87198466) has the molecular formula C18H31BrMgO and a molecular weight of 367.65 g/mol. Its IUPAC name is magnesium;2-methylpropane;octoxybenzene;hydrobromide.

Molecular Properties

Compound Namemagnesium;2-methylpropane;octoxybenzene;hydrobromide
PubChem CID87198466
Molecular FormulaC18H31BrMgO
Molecular Weight367.65 g/mol
Exact Mass366.14
IUPAC Namemagnesium;2-methylpropane;octoxybenzene;hydrobromide
SMILESBr.CCCCCCCCOc1[c-]cccc1.C[C-](C)C.[Mg+2]
InChIInChI=1S/C14H21O.C4H9.BrH.Mg/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14;1-4(2)3;;/h7-9,11H,2-6,10,13H2,1H3;1-3H3;1H;/q2*-1;;+2
InChIKeyYPEDEWSDIXEGPS-UHFFFAOYSA-N
XLogP6.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.65
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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;1-tert-butyl-4-octoxybenzene-5-ide;chloride
CID 87198407
magnesium;octylbenzene;chloride
CID 88593205
magnesium;hexylsulfanylbenzene;bromide
CID 91656187
9,10-dioctoxyanthracene
CID 21304201
pentoxybenzene;undecane
CID 174778179
magnesium;1-fluoro-2-pentoxybenzene-3-ide;bromide
CID 133143473
dodecylbenzene;molybdenum
CID 174580500
1-ethyl-2-heptoxybenzene
CID 22723794
1,4-didodecoxynaphthalene
CID 21304164
dimagnesium;1-octoxy-3-(3-octoxybenzene-6-id-1-yl)benzene-4-ide;dibromide
CID 59738946
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653

Frequently Asked Questions

What is the IUPAC name of magnesium;2-methylpropane;octoxybenzene;hydrobromide?
The IUPAC name of magnesium;2-methylpropane;octoxybenzene;hydrobromide (CID 87198466) is magnesium;2-methylpropane;octoxybenzene;hydrobromide.
What is the SMILES notation for magnesium;2-methylpropane;octoxybenzene;hydrobromide?
The canonical SMILES for magnesium;2-methylpropane;octoxybenzene;hydrobromide is Br.CCCCCCCCOc1[c-]cccc1.C[C-](C)C.[Mg+2].
What is the InChIKey of magnesium;2-methylpropane;octoxybenzene;hydrobromide?
The InChIKey is YPEDEWSDIXEGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21O.C4H9.BrH.Mg/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14;1-4(2)3;;/h7-9,11H,2-6,10,13H2,1H3;1-3H3;1H;/q2*-1;;+2.
What are the key properties of magnesium;2-methylpropane;octoxybenzene;hydrobromide?
magnesium;2-methylpropane;octoxybenzene;hydrobromide has a molecular weight of 367.65 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-methylpropane;octoxybenzene;hydrobromide is sourced from PubChem (CID 87198466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).