magnesium;1-tert-butyl-4-octoxybenzene-5-ide;chloride

C18H29ClMgO — CID 87198407

IUPACmagnesium;1-tert-butyl-4-octoxybenzene-5-ide;chloride
SMILESCCCCCCCCOc1[c-]cc(C(C)(C)C)cc1.[Cl-].[Mg+2]
InChIInChI=1S/C18H29O.ClH.Mg/c1-5-6-7-8-9-10-15-19-17-13-11-16(12-14-17)18(2,3)4;;/h11-13H,5-10,15H2,1-4H3;1H;/q-1;;+2/p-1
InChIKeyGTUMQSLAZSBXSE-UHFFFAOYSA-M
MW321.19 g/mol
LogP2.15
Rot. Bonds8

About magnesium;1-tert-butyl-4-octoxybenzene-5-ide;chloride

magnesium;1-tert-butyl-4-octoxybenzene-5-ide;chloride (PubChem CID 87198407) has the molecular formula C18H29ClMgO and a molecular weight of 321.19 g/mol. Its IUPAC name is magnesium;1-tert-butyl-4-octoxybenzene-5-ide;chloride.

Molecular Properties

Compound Namemagnesium;1-tert-butyl-4-octoxybenzene-5-ide;chloride
PubChem CID87198407
Molecular FormulaC18H29ClMgO
Molecular Weight321.19 g/mol
Exact Mass320.18
IUPAC Namemagnesium;1-tert-butyl-4-octoxybenzene-5-ide;chloride
SMILESCCCCCCCCOc1[c-]cc(C(C)(C)C)cc1.[Cl-].[Mg+2]
InChIInChI=1S/C18H29O.ClH.Mg/c1-5-6-7-8-9-10-15-19-17-13-11-16(12-14-17)18(2,3)4;;/h11-13H,5-10,15H2,1-4H3;1H;/q-1;;+2/p-1
InChIKeyGTUMQSLAZSBXSE-UHFFFAOYSA-M
XLogP2.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 52.15
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;2-methylpropane;octoxybenzene;hydrobromide
CID 87198466
bromozinc(1+);1-butoxy-4-fluorobenzene-6-ide
CID 146001975
2-tert-butyl-9,10-di(heptadecoxy)anthracene
CID 139930060
2-tert-butyl-9,10-dioctadecoxyanthracene
CID 139930365
2-tert-butyl-9,10-dioctoxyanthracene
CID 139930300
1-heptoxy-4-[(4-heptoxyphenyl)-diphenylmethyl]benzene
CID 118498507
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
2-methyl-1-octoxy-4-(2,4,4-trimethylpentan-2-yl)benzene
CID 20589144
1,2-bis(5-tert-butyl-2-octoxyphenyl)ethane-1,2-dione
CID 141165582
butyl-[5-(4-tert-butylphenoxy)pentyl]azanium
CID 2248472
tridecyl 4-tert-butylbenzoate
CID 91724016

Frequently Asked Questions

What is the IUPAC name of magnesium;1-tert-butyl-4-octoxybenzene-5-ide;chloride?
The IUPAC name of magnesium;1-tert-butyl-4-octoxybenzene-5-ide;chloride (CID 87198407) is magnesium;1-tert-butyl-4-octoxybenzene-5-ide;chloride.
What is the SMILES notation for magnesium;1-tert-butyl-4-octoxybenzene-5-ide;chloride?
The canonical SMILES for magnesium;1-tert-butyl-4-octoxybenzene-5-ide;chloride is CCCCCCCCOc1[c-]cc(C(C)(C)C)cc1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;1-tert-butyl-4-octoxybenzene-5-ide;chloride?
The InChIKey is GTUMQSLAZSBXSE-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H29O.ClH.Mg/c1-5-6-7-8-9-10-15-19-17-13-11-16(12-14-17)18(2,3)4;;/h11-13H,5-10,15H2,1-4H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-tert-butyl-4-octoxybenzene-5-ide;chloride?
magnesium;1-tert-butyl-4-octoxybenzene-5-ide;chloride has a molecular weight of 321.19 g/mol, XLogP of 2.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-tert-butyl-4-octoxybenzene-5-ide;chloride is sourced from PubChem (CID 87198407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).