bis(cyclopenta-1,4-dien-1-yl(triethyl)silane);molybdenum(2+)

C22H38MoSi2 — CID 175066339

IUPACbis(cyclopenta-1,4-dien-1-yl(triethyl)silane);molybdenum(2+)
SMILESCC[Si](CC)(CC)C1=[C-]CC=C1.CC[Si](CC)(CC)C1=[C-]CC=C1.[Mo+2]
InChIInChI=1S/2C11H19Si.Mo/c2*1-4-12(5-2,6-3)11-9-7-8-10-11;/h2*7,9H,4-6,8H2,1-3H3;/q2*-1;+2
InChIKeyDPMMEJNNWFCKQX-UHFFFAOYSA-N
MW454.66 g/mol
LogP7.44
Rot. Bonds8

About bis(cyclopenta-1,4-dien-1-yl(triethyl)silane);molybdenum(2+)

bis(cyclopenta-1,4-dien-1-yl(triethyl)silane);molybdenum(2+) (PubChem CID 175066339) has the molecular formula C22H38MoSi2 and a molecular weight of 454.66 g/mol. Its IUPAC name is bis(cyclopenta-1,4-dien-1-yl(triethyl)silane);molybdenum(2+).

Molecular Properties

Compound Namebis(cyclopenta-1,4-dien-1-yl(triethyl)silane);molybdenum(2+)
PubChem CID175066339
Molecular FormulaC22H38MoSi2
Molecular Weight454.66 g/mol
Exact Mass456.16
IUPAC Namebis(cyclopenta-1,4-dien-1-yl(triethyl)silane);molybdenum(2+)
SMILESCC[Si](CC)(CC)C1=[C-]CC=C1.CC[Si](CC)(CC)C1=[C-]CC=C1.[Mo+2]
InChIInChI=1S/2C11H19Si.Mo/c2*1-4-12(5-2,6-3)11-9-7-8-10-11;/h2*7,9H,4-6,8H2,1-3H3;/q2*-1;+2
InChIKeyDPMMEJNNWFCKQX-UHFFFAOYSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.66
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,4-dien-1-yl(triethyl)silane);molybdenum(2+)?
The IUPAC name of bis(cyclopenta-1,4-dien-1-yl(triethyl)silane);molybdenum(2+) (CID 175066339) is bis(cyclopenta-1,4-dien-1-yl(triethyl)silane);molybdenum(2+).
What is the SMILES notation for bis(cyclopenta-1,4-dien-1-yl(triethyl)silane);molybdenum(2+)?
The canonical SMILES for bis(cyclopenta-1,4-dien-1-yl(triethyl)silane);molybdenum(2+) is CC[Si](CC)(CC)C1=[C-]CC=C1.CC[Si](CC)(CC)C1=[C-]CC=C1.[Mo+2].
What is the InChIKey of bis(cyclopenta-1,4-dien-1-yl(triethyl)silane);molybdenum(2+)?
The InChIKey is DPMMEJNNWFCKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H19Si.Mo/c2*1-4-12(5-2,6-3)11-9-7-8-10-11;/h2*7,9H,4-6,8H2,1-3H3;/q2*-1;+2.
What are the key properties of bis(cyclopenta-1,4-dien-1-yl(triethyl)silane);molybdenum(2+)?
bis(cyclopenta-1,4-dien-1-yl(triethyl)silane);molybdenum(2+) has a molecular weight of 454.66 g/mol, XLogP of 7.44, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,4-dien-1-yl(triethyl)silane);molybdenum(2+) is sourced from PubChem (CID 175066339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).