cyclopenta-1,3-diene;cyclopentane;molybdenum;bis(prop-1-yne)

C16H16Mo-8 — CID 11986784

IUPACcyclopenta-1,3-diene;cyclopentane;molybdenum;bis(prop-1-yne)
SMILES[C-]#CC.[C-]#CC.[Mo].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.2C3H3.Mo/c2*1-2-4-5-3-1;2*1-3-2;/h2*1-5H;2*1H3;/q-5;3*-1;
InChIKeyLFVLKUSZCYSRFD-UHFFFAOYSA-N
MW304.24 g/mol
LogP4.00
Rot. Bonds

About cyclopenta-1,3-diene;cyclopentane;molybdenum;bis(prop-1-yne)

cyclopenta-1,3-diene;cyclopentane;molybdenum;bis(prop-1-yne) (PubChem CID 11986784) has the molecular formula C16H16Mo-8 and a molecular weight of 304.24 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopentane;molybdenum;bis(prop-1-yne).

Molecular Properties

Compound Namecyclopenta-1,3-diene;cyclopentane;molybdenum;bis(prop-1-yne)
PubChem CID11986784
Molecular FormulaC16H16Mo-8
Molecular Weight304.24 g/mol
Exact Mass306.03
IUPAC Namecyclopenta-1,3-diene;cyclopentane;molybdenum;bis(prop-1-yne)
SMILES[C-]#CC.[C-]#CC.[Mo].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.2C3H3.Mo/c2*1-2-4-5-3-1;2*1-3-2;/h2*1-5H;2*1H3;/q-5;3*-1;
InChIKeyLFVLKUSZCYSRFD-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.24
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;cyclopentane;molybdenum;bis(prop-1-yne)?
The IUPAC name of cyclopenta-1,3-diene;cyclopentane;molybdenum;bis(prop-1-yne) (CID 11986784) is cyclopenta-1,3-diene;cyclopentane;molybdenum;bis(prop-1-yne).
What is the SMILES notation for cyclopenta-1,3-diene;cyclopentane;molybdenum;bis(prop-1-yne)?
The canonical SMILES for cyclopenta-1,3-diene;cyclopentane;molybdenum;bis(prop-1-yne) is [C-]#CC.[C-]#CC.[Mo].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;cyclopentane;molybdenum;bis(prop-1-yne)?
The InChIKey is LFVLKUSZCYSRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.2C3H3.Mo/c2*1-2-4-5-3-1;2*1-3-2;/h2*1-5H;2*1H3;/q-5;3*-1;.
What are the key properties of cyclopenta-1,3-diene;cyclopentane;molybdenum;bis(prop-1-yne)?
cyclopenta-1,3-diene;cyclopentane;molybdenum;bis(prop-1-yne) has a molecular weight of 304.24 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;cyclopentane;molybdenum;bis(prop-1-yne) is sourced from PubChem (CID 11986784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).