chromium;cyclopenta-1,3-diene;1,2,3,4,5,6-hexamethylbenzene

C17H23Cr- — CID 624342

IUPACchromium;cyclopenta-1,3-diene;1,2,3,4,5,6-hexamethylbenzene
SMILESCc1c(C)c(C)c(C)c(C)c1C.[Cr].c1cc[cH-]c1
InChIInChI=1S/C12H18.C5H5.Cr/c1-7-8(2)10(4)12(6)11(5)9(7)3;1-2-4-5-3-1;/h1-6H3;1-5H;/q;-1;
InChIKeyTYCFJPQGSYHNQT-UHFFFAOYSA-N
MW279.37 g/mol
LogP4.94
Rot. Bonds

About chromium;cyclopenta-1,3-diene;1,2,3,4,5,6-hexamethylbenzene

chromium;cyclopenta-1,3-diene;1,2,3,4,5,6-hexamethylbenzene (PubChem CID 624342) has the molecular formula C17H23Cr- and a molecular weight of 279.37 g/mol. Its IUPAC name is chromium;cyclopenta-1,3-diene;1,2,3,4,5,6-hexamethylbenzene.

Molecular Properties

Compound Namechromium;cyclopenta-1,3-diene;1,2,3,4,5,6-hexamethylbenzene
PubChem CID624342
Molecular FormulaC17H23Cr-
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Namechromium;cyclopenta-1,3-diene;1,2,3,4,5,6-hexamethylbenzene
SMILESCc1c(C)c(C)c(C)c(C)c1C.[Cr].c1cc[cH-]c1
InChIInChI=1S/C12H18.C5H5.Cr/c1-7-8(2)10(4)12(6)11(5)9(7)3;1-2-4-5-3-1;/h1-6H3;1-5H;/q;-1;
InChIKeyTYCFJPQGSYHNQT-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 54.94
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

bis(cyclopenta-1,3-diene);gold
CID 140990202
bis(cyclopenta-1,3-diene);nickel
CID 25199994
bis(cyclopenta-1,3-diene);uranium(2+)
CID 154419061
cobalt;cyclopenta-1,3-diene
CID 25199992
cyclopenta-1,3-diene;ethane;ruthenium(2+)
CID 141259751
bis(cyclopenta-1,3-diene);ethane;iron(4+)
CID 151124336
cyclopenta-1,3-diene;ethane;titanium(3+)
CID 154448215
cyclopenta-1,3-diene;tetramethylazanium
CID 134880327
bis(cyclopenta-1,3-diene);ethane;titanium(4+)
CID 140973450
cobalt(2+);cyclopenta-1,3-diene;ethane
CID 140891740
cyclopenta-1,3-diene;cyclopentane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium
CID 11986884
carbanide;chlororuthenium;cyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 156694793

Frequently Asked Questions

What is the IUPAC name of chromium;cyclopenta-1,3-diene;1,2,3,4,5,6-hexamethylbenzene?
The IUPAC name of chromium;cyclopenta-1,3-diene;1,2,3,4,5,6-hexamethylbenzene (CID 624342) is chromium;cyclopenta-1,3-diene;1,2,3,4,5,6-hexamethylbenzene.
What is the SMILES notation for chromium;cyclopenta-1,3-diene;1,2,3,4,5,6-hexamethylbenzene?
The canonical SMILES for chromium;cyclopenta-1,3-diene;1,2,3,4,5,6-hexamethylbenzene is Cc1c(C)c(C)c(C)c(C)c1C.[Cr].c1cc[cH-]c1.
What is the InChIKey of chromium;cyclopenta-1,3-diene;1,2,3,4,5,6-hexamethylbenzene?
The InChIKey is TYCFJPQGSYHNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C5H5.Cr/c1-7-8(2)10(4)12(6)11(5)9(7)3;1-2-4-5-3-1;/h1-6H3;1-5H;/q;-1;.
What are the key properties of chromium;cyclopenta-1,3-diene;1,2,3,4,5,6-hexamethylbenzene?
chromium;cyclopenta-1,3-diene;1,2,3,4,5,6-hexamethylbenzene has a molecular weight of 279.37 g/mol, XLogP of 4.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;cyclopenta-1,3-diene;1,2,3,4,5,6-hexamethylbenzene is sourced from PubChem (CID 624342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).