1-ethyl-2-(2-ethyl-6-methylbenzene-3-id-1-yl)-3-methylbenzene-6-ide;rhenium

C18H20Re2-2 — CID 59193678

IUPAC1-ethyl-2-(2-ethyl-6-methylbenzene-3-id-1-yl)-3-methylbenzene-6-ide;rhenium
SMILESCCc1[c-]ccc(C)c1-c1c(CC)[c-]ccc1C.[Re].[Re]
InChIInChI=1S/C18H20.2Re/c1-5-15-11-7-9-13(3)17(15)18-14(4)10-8-12-16(18)6-2;;/h7-10H,5-6H2,1-4H3;;/q-2;;
InChIKeyHPFUBJFODPRTTB-UHFFFAOYSA-N
MW608.77 g/mol
LogP4.69
Rot. Bonds3

About 1-ethyl-2-(2-ethyl-6-methylbenzene-3-id-1-yl)-3-methylbenzene-6-ide;rhenium

1-ethyl-2-(2-ethyl-6-methylbenzene-3-id-1-yl)-3-methylbenzene-6-ide;rhenium (PubChem CID 59193678) has the molecular formula C18H20Re2-2 and a molecular weight of 608.77 g/mol. Its IUPAC name is 1-ethyl-2-(2-ethyl-6-methylbenzene-3-id-1-yl)-3-methylbenzene-6-ide;rhenium.

Molecular Properties

Compound Name1-ethyl-2-(2-ethyl-6-methylbenzene-3-id-1-yl)-3-methylbenzene-6-ide;rhenium
PubChem CID59193678
Molecular FormulaC18H20Re2-2
Molecular Weight608.77 g/mol
Exact Mass610.07
IUPAC Name1-ethyl-2-(2-ethyl-6-methylbenzene-3-id-1-yl)-3-methylbenzene-6-ide;rhenium
SMILESCCc1[c-]ccc(C)c1-c1c(CC)[c-]ccc1C.[Re].[Re]
InChIInChI=1S/C18H20.2Re/c1-5-15-11-7-9-13(3)17(15)18-14(4)10-8-12-16(18)6-2;;/h7-10H,5-6H2,1-4H3;;/q-2;;
InChIKeyHPFUBJFODPRTTB-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.77
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-ethyl-6-methylaniline
CID 3018019
1-chloro-4-ethyl-2-methylbenzene;ethane
CID 142121320
lithium 1,2-difluoro-3-methylbenzene-6-ide
CID 59346107
2-methylbenzene-6-ide-1-carbonitrile;yttrium(3+)
CID 20739775
magnesium;hydroxysilane;1,2,3-trimethylbenzene-6-ide
CID 173351353
4-deuterio-2-(2-ethyl-3-methylbenzene-6-id-1-yl)pyridine;iridium
CID 169291483
ethanamine;1,2-xylene
CID 160781195
(Z)-(5-ethyl-2-methylphenyl)methylidenehydrazine
CID 143338887
(4-chloro-2,6-dimethylphenyl)hydrazine
CID 170985099
4-chloro-2,6-diethylaniline
CID 14348967
azanide;2-methylbenzene-5-id-1-amine;tetrachloroplatinum
CID 5250594
5-chloro-1-ethyl-2-fluoro-3-methylbenzene
CID 130776841

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-ethyl-6-methylbenzene-3-id-1-yl)-3-methylbenzene-6-ide;rhenium?
The IUPAC name of 1-ethyl-2-(2-ethyl-6-methylbenzene-3-id-1-yl)-3-methylbenzene-6-ide;rhenium (CID 59193678) is 1-ethyl-2-(2-ethyl-6-methylbenzene-3-id-1-yl)-3-methylbenzene-6-ide;rhenium.
What is the SMILES notation for 1-ethyl-2-(2-ethyl-6-methylbenzene-3-id-1-yl)-3-methylbenzene-6-ide;rhenium?
The canonical SMILES for 1-ethyl-2-(2-ethyl-6-methylbenzene-3-id-1-yl)-3-methylbenzene-6-ide;rhenium is CCc1[c-]ccc(C)c1-c1c(CC)[c-]ccc1C.[Re].[Re].
What is the InChIKey of 1-ethyl-2-(2-ethyl-6-methylbenzene-3-id-1-yl)-3-methylbenzene-6-ide;rhenium?
The InChIKey is HPFUBJFODPRTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20.2Re/c1-5-15-11-7-9-13(3)17(15)18-14(4)10-8-12-16(18)6-2;;/h7-10H,5-6H2,1-4H3;;/q-2;;.
What are the key properties of 1-ethyl-2-(2-ethyl-6-methylbenzene-3-id-1-yl)-3-methylbenzene-6-ide;rhenium?
1-ethyl-2-(2-ethyl-6-methylbenzene-3-id-1-yl)-3-methylbenzene-6-ide;rhenium has a molecular weight of 608.77 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-ethyl-6-methylbenzene-3-id-1-yl)-3-methylbenzene-6-ide;rhenium is sourced from PubChem (CID 59193678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).