chromium;formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene

C12H19CrO2- — CID 87776997

IUPACchromium;formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESC=O.C=O.CC1=[C-]C(C)(C)C(C)=C1C.[Cr]
InChIInChI=1S/C10H15.2CH2O.Cr/c1-7-6-10(4,5)9(3)8(7)2;2*1-2;/h1-5H3;2*1H2;/q-1;;;
InChIKeyAJQKPPLXMVMSIG-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.74
Rot. Bonds

About chromium;formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene

chromium;formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene (PubChem CID 87776997) has the molecular formula C12H19CrO2- and a molecular weight of 247.28 g/mol. Its IUPAC name is chromium;formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namechromium;formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene
PubChem CID87776997
Molecular FormulaC12H19CrO2-
Molecular Weight247.28 g/mol
Exact Mass247.08
IUPAC Namechromium;formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESC=O.C=O.CC1=[C-]C(C)(C)C(C)=C1C.[Cr]
InChIInChI=1S/C10H15.2CH2O.Cr/c1-7-6-10(4,5)9(3)8(7)2;2*1-2;/h1-5H3;2*1H2;/q-1;;;
InChIKeyAJQKPPLXMVMSIG-UHFFFAOYSA-N
XLogP2.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze chromium;formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chromium;formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of chromium;formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene (CID 87776997) is chromium;formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for chromium;formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for chromium;formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene is C=O.C=O.CC1=[C-]C(C)(C)C(C)=C1C.[Cr].
What is the InChIKey of chromium;formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is AJQKPPLXMVMSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.2CH2O.Cr/c1-7-6-10(4,5)9(3)8(7)2;2*1-2;/h1-5H3;2*1H2;/q-1;;;.
What are the key properties of chromium;formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
chromium;formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 247.28 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;formaldehyde;1,2,3,5,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 87776997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).