chromium(2+);2,4-dimethylpenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene

C17H26Cr — CID 131717665

IUPACchromium(2+);2,4-dimethylpenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCc1c(C)c(C)[c-](C)c1C.[Cr+2].[H]/[C-]=C(/C)C=C(C)C
InChIInChI=1S/C10H15.C7H11.Cr/c1-6-7(2)9(4)10(5)8(6)3;1-6(2)5-7(3)4;/h1-5H3;1,5H,2-4H3;/q2*-1;+2
InChIKeyLOEQCQFIDSALLO-UHFFFAOYSA-N
MW282.39 g/mol
LogP5.28
Rot. Bonds1

About chromium(2+);2,4-dimethylpenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene

chromium(2+);2,4-dimethylpenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene (PubChem CID 131717665) has the molecular formula C17H26Cr and a molecular weight of 282.39 g/mol. Its IUPAC name is chromium(2+);2,4-dimethylpenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namechromium(2+);2,4-dimethylpenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
PubChem CID131717665
Molecular FormulaC17H26Cr
Molecular Weight282.39 g/mol
Exact Mass282.14
IUPAC Namechromium(2+);2,4-dimethylpenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCc1c(C)c(C)[c-](C)c1C.[Cr+2].[H]/[C-]=C(/C)C=C(C)C
InChIInChI=1S/C10H15.C7H11.Cr/c1-6-7(2)9(4)10(5)8(6)3;1-6(2)5-7(3)4;/h1-5H3;1,5H,2-4H3;/q2*-1;+2
InChIKeyLOEQCQFIDSALLO-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethylpenta-1,3-diene;nitroxyl anion;tungsten
CID 140525116
methanol;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium
CID 5148204
1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+)
CID 154465312
nickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
CID 5148230
iron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 141410099
dichloromolybdenum;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
CID 155669320
iron(2+);methanone;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 174537314
bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide
CID 172696941
carbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 139722502
hafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride
CID 87375739
cobalt;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopentane
CID 11987162
nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane
CID 11984772

Frequently Asked Questions

What is the IUPAC name of chromium(2+);2,4-dimethylpenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of chromium(2+);2,4-dimethylpenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene (CID 131717665) is chromium(2+);2,4-dimethylpenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for chromium(2+);2,4-dimethylpenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for chromium(2+);2,4-dimethylpenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene is Cc1c(C)c(C)[c-](C)c1C.[Cr+2].[H]/[C-]=C(/C)C=C(C)C.
What is the InChIKey of chromium(2+);2,4-dimethylpenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is LOEQCQFIDSALLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.C7H11.Cr/c1-6-7(2)9(4)10(5)8(6)3;1-6(2)5-7(3)4;/h1-5H3;1,5H,2-4H3;/q2*-1;+2.
What are the key properties of chromium(2+);2,4-dimethylpenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
chromium(2+);2,4-dimethylpenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 282.39 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(2+);2,4-dimethylpenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 131717665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).