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

C16H27MoO6- — CID 173085292

IUPACformaldehyde;molybdenum;1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESC=O.C=O.C=O.C=O.C=O.C=O.CC1=[C-]C(C)(C)C(C)=C1C.[Mo]
InChIInChI=1S/C10H15.6CH2O.Mo/c1-7-6-10(4,5)9(3)8(7)2;6*1-2;/h1-5H3;6*1H2;/q-1;;;;;;;
InChIKeyJVCKDDFJOFUKCR-UHFFFAOYSA-N
MW411.33 g/mol
LogP2.00
Rot. Bonds

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

formaldehyde;molybdenum;1,2,3,5,5-pentamethylcyclopenta-1,3-diene (PubChem CID 173085292) has the molecular formula C16H27MoO6- and a molecular weight of 411.33 g/mol. Its IUPAC name is formaldehyde;molybdenum;1,2,3,5,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Nameformaldehyde;molybdenum;1,2,3,5,5-pentamethylcyclopenta-1,3-diene
PubChem CID173085292
Molecular FormulaC16H27MoO6-
Molecular Weight411.33 g/mol
Exact Mass413.09
IUPAC Nameformaldehyde;molybdenum;1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESC=O.C=O.C=O.C=O.C=O.C=O.CC1=[C-]C(C)(C)C(C)=C1C.[Mo]
InChIInChI=1S/C10H15.6CH2O.Mo/c1-7-6-10(4,5)9(3)8(7)2;6*1-2;/h1-5H3;6*1H2;/q-1;;;;;;;
InChIKeyJVCKDDFJOFUKCR-UHFFFAOYSA-N
XLogP2.00
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 formaldehyde;molybdenum;1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of formaldehyde;molybdenum;1,2,3,5,5-pentamethylcyclopenta-1,3-diene (CID 173085292) is formaldehyde;molybdenum;1,2,3,5,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for formaldehyde;molybdenum;1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for formaldehyde;molybdenum;1,2,3,5,5-pentamethylcyclopenta-1,3-diene is C=O.C=O.C=O.C=O.C=O.C=O.CC1=[C-]C(C)(C)C(C)=C1C.[Mo].
What is the InChIKey of formaldehyde;molybdenum;1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is JVCKDDFJOFUKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.6CH2O.Mo/c1-7-6-10(4,5)9(3)8(7)2;6*1-2;/h1-5H3;6*1H2;/q-1;;;;;;;.
What are the key properties of formaldehyde;molybdenum;1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
formaldehyde;molybdenum;1,2,3,5,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 411.33 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;molybdenum;1,2,3,5,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 173085292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).