carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)

C12H16Mo — CID 175390139

IUPACcarbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)
SMILES[C-]1=CC=CC1.[C-]1=CC=CC1.[CH3-].[CH3-].[Mo+4]
InChIInChI=1S/2C5H5.2CH3.Mo/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;2*1H3;/q4*-1;+4
InChIKeyBRQNAUXZDAADHJ-UHFFFAOYSA-N
MW256.20 g/mol
LogP3.51
Rot. Bonds

About carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)

carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+) (PubChem CID 175390139) has the molecular formula C12H16Mo and a molecular weight of 256.20 g/mol. Its IUPAC name is carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+).

Molecular Properties

Compound Namecarbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)
PubChem CID175390139
Molecular FormulaC12H16Mo
Molecular Weight256.20 g/mol
Exact Mass258.03
IUPAC Namecarbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)
SMILES[C-]1=CC=CC1.[C-]1=CC=CC1.[CH3-].[CH3-].[Mo+4]
InChIInChI=1S/2C5H5.2CH3.Mo/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;2*1H3;/q4*-1;+4
InChIKeyBRQNAUXZDAADHJ-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 53.51
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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Related Compounds

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CID 175422555
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CID 173399564
carbanide;cyclopenta-1,3-diene;osmium(2+)
CID 140608310
carbanide;cyclopenta-1,3-diene;hydride;titanium(3+)
CID 173197965
carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)
CID 174257873
carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride
CID 173293314
azanide;carbanide;cyclopenta-1,3-diene;zirconium
CID 175410282
carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride
CID 174301832
carbanide;cyclopenta-1,3-diene;titanium(4+);chloride
CID 87905674

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)?
The IUPAC name of carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+) (CID 175390139) is carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+).
What is the SMILES notation for carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)?
The canonical SMILES for carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+) is [C-]1=CC=CC1.[C-]1=CC=CC1.[CH3-].[CH3-].[Mo+4].
What is the InChIKey of carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)?
The InChIKey is BRQNAUXZDAADHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.2CH3.Mo/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)?
carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+) has a molecular weight of 256.20 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+) is sourced from PubChem (CID 175390139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).