chromium;1,3,5-tri(propan-2-yl)benzene;1,3,5-tri(propan-2-yl)cyclohexane

C30H48Cr-6 — CID 11985997

IUPACchromium;1,3,5-tri(propan-2-yl)benzene;1,3,5-tri(propan-2-yl)cyclohexane
SMILESCC(C)[C-]1[CH-][C-](C(C)C)[CH-][C-](C(C)C)[CH-]1.CC(C)c1cc(C(C)C)cc(C(C)C)c1.[Cr]
InChIInChI=1S/2C15H24.Cr/c2*1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6;/h2*7-12H,1-6H3;/q;-6;
InChIKeyRNGOGLTZASXXTH-UHFFFAOYSA-N
MW460.71 g/mol
LogP9.36
Rot. Bonds6

About chromium;1,3,5-tri(propan-2-yl)benzene;1,3,5-tri(propan-2-yl)cyclohexane

chromium;1,3,5-tri(propan-2-yl)benzene;1,3,5-tri(propan-2-yl)cyclohexane (PubChem CID 11985997) has the molecular formula C30H48Cr-6 and a molecular weight of 460.71 g/mol. Its IUPAC name is chromium;1,3,5-tri(propan-2-yl)benzene;1,3,5-tri(propan-2-yl)cyclohexane.

Molecular Properties

Compound Namechromium;1,3,5-tri(propan-2-yl)benzene;1,3,5-tri(propan-2-yl)cyclohexane
PubChem CID11985997
Molecular FormulaC30H48Cr-6
Molecular Weight460.71 g/mol
Exact Mass460.32
IUPAC Namechromium;1,3,5-tri(propan-2-yl)benzene;1,3,5-tri(propan-2-yl)cyclohexane
SMILESCC(C)[C-]1[CH-][C-](C(C)C)[CH-][C-](C(C)C)[CH-]1.CC(C)c1cc(C(C)C)cc(C(C)C)c1.[Cr]
InChIInChI=1S/2C15H24.Cr/c2*1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6;/h2*7-12H,1-6H3;/q;-6;
InChIKeyRNGOGLTZASXXTH-UHFFFAOYSA-N
XLogP9.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.71
LogP ≤ 59.36
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;1,3,5-tri(propan-2-yl)benzene;1,3,5-tri(propan-2-yl)cyclohexane?
The IUPAC name of chromium;1,3,5-tri(propan-2-yl)benzene;1,3,5-tri(propan-2-yl)cyclohexane (CID 11985997) is chromium;1,3,5-tri(propan-2-yl)benzene;1,3,5-tri(propan-2-yl)cyclohexane.
What is the SMILES notation for chromium;1,3,5-tri(propan-2-yl)benzene;1,3,5-tri(propan-2-yl)cyclohexane?
The canonical SMILES for chromium;1,3,5-tri(propan-2-yl)benzene;1,3,5-tri(propan-2-yl)cyclohexane is CC(C)[C-]1[CH-][C-](C(C)C)[CH-][C-](C(C)C)[CH-]1.CC(C)c1cc(C(C)C)cc(C(C)C)c1.[Cr].
What is the InChIKey of chromium;1,3,5-tri(propan-2-yl)benzene;1,3,5-tri(propan-2-yl)cyclohexane?
The InChIKey is RNGOGLTZASXXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H24.Cr/c2*1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6;/h2*7-12H,1-6H3;/q;-6;.
What are the key properties of chromium;1,3,5-tri(propan-2-yl)benzene;1,3,5-tri(propan-2-yl)cyclohexane?
chromium;1,3,5-tri(propan-2-yl)benzene;1,3,5-tri(propan-2-yl)cyclohexane has a molecular weight of 460.71 g/mol, XLogP of 9.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;1,3,5-tri(propan-2-yl)benzene;1,3,5-tri(propan-2-yl)cyclohexane is sourced from PubChem (CID 11985997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).