chromium(2+);bis(1,2,3,5-tetra(propan-2-yl)cyclopenta-1,3-diene)

C34H58Cr — CID 15865787

IUPACchromium(2+);bis(1,2,3,5-tetra(propan-2-yl)cyclopenta-1,3-diene)
SMILESCC(C)c1c[c-](C(C)C)c(C(C)C)c1C(C)C.CC(C)c1c[c-](C(C)C)c(C(C)C)c1C(C)C.[Cr+2]
InChIInChI=1S/2C17H29.Cr/c2*1-10(2)14-9-15(11(3)4)17(13(7)8)16(14)12(5)6;/h2*9-13H,1-8H3;/q2*-1;+2
InChIKeyFTKLBNMYEFCDTG-UHFFFAOYSA-N
MW518.83 g/mol
LogP11.80
Rot. Bonds8

About chromium(2+);bis(1,2,3,5-tetra(propan-2-yl)cyclopenta-1,3-diene)

chromium(2+);bis(1,2,3,5-tetra(propan-2-yl)cyclopenta-1,3-diene) (PubChem CID 15865787) has the molecular formula C34H58Cr and a molecular weight of 518.83 g/mol. Its IUPAC name is chromium(2+);bis(1,2,3,5-tetra(propan-2-yl)cyclopenta-1,3-diene).

Molecular Properties

Compound Namechromium(2+);bis(1,2,3,5-tetra(propan-2-yl)cyclopenta-1,3-diene)
PubChem CID15865787
Molecular FormulaC34H58Cr
Molecular Weight518.83 g/mol
Exact Mass518.39
IUPAC Namechromium(2+);bis(1,2,3,5-tetra(propan-2-yl)cyclopenta-1,3-diene)
SMILESCC(C)c1c[c-](C(C)C)c(C(C)C)c1C(C)C.CC(C)c1c[c-](C(C)C)c(C(C)C)c1C(C)C.[Cr+2]
InChIInChI=1S/2C17H29.Cr/c2*1-10(2)14-9-15(11(3)4)17(13(7)8)16(14)12(5)6;/h2*9-13H,1-8H3;/q2*-1;+2
InChIKeyFTKLBNMYEFCDTG-UHFFFAOYSA-N
XLogP11.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.83
LogP ≤ 511.80
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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Frequently Asked Questions

What is the IUPAC name of chromium(2+);bis(1,2,3,5-tetra(propan-2-yl)cyclopenta-1,3-diene)?
The IUPAC name of chromium(2+);bis(1,2,3,5-tetra(propan-2-yl)cyclopenta-1,3-diene) (CID 15865787) is chromium(2+);bis(1,2,3,5-tetra(propan-2-yl)cyclopenta-1,3-diene).
What is the SMILES notation for chromium(2+);bis(1,2,3,5-tetra(propan-2-yl)cyclopenta-1,3-diene)?
The canonical SMILES for chromium(2+);bis(1,2,3,5-tetra(propan-2-yl)cyclopenta-1,3-diene) is CC(C)c1c[c-](C(C)C)c(C(C)C)c1C(C)C.CC(C)c1c[c-](C(C)C)c(C(C)C)c1C(C)C.[Cr+2].
What is the InChIKey of chromium(2+);bis(1,2,3,5-tetra(propan-2-yl)cyclopenta-1,3-diene)?
The InChIKey is FTKLBNMYEFCDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H29.Cr/c2*1-10(2)14-9-15(11(3)4)17(13(7)8)16(14)12(5)6;/h2*9-13H,1-8H3;/q2*-1;+2.
What are the key properties of chromium(2+);bis(1,2,3,5-tetra(propan-2-yl)cyclopenta-1,3-diene)?
chromium(2+);bis(1,2,3,5-tetra(propan-2-yl)cyclopenta-1,3-diene) has a molecular weight of 518.83 g/mol, XLogP of 11.80, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(2+);bis(1,2,3,5-tetra(propan-2-yl)cyclopenta-1,3-diene) is sourced from PubChem (CID 15865787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).