bis(cyclopenta-2,4-dien-1-yl(trimethyl)silane);scandium

C16H26ScSi2-2 — CID 154427103

IUPACbis(cyclopenta-2,4-dien-1-yl(trimethyl)silane);scandium
SMILESC[Si](C)(C)[c-]1cccc1.C[Si](C)(C)[c-]1cccc1.[Sc]
InChIInChI=1S/2C8H13Si.Sc/c2*1-9(2,3)8-6-4-5-7-8;/h2*4-7H,1-3H3;/q2*-1;
InChIKeyIUXNRGQZSXAIFX-UHFFFAOYSA-N
MW319.51 g/mol
LogP3.90
Rot. Bonds2

About bis(cyclopenta-2,4-dien-1-yl(trimethyl)silane);scandium

bis(cyclopenta-2,4-dien-1-yl(trimethyl)silane);scandium (PubChem CID 154427103) has the molecular formula C16H26ScSi2-2 and a molecular weight of 319.51 g/mol. Its IUPAC name is bis(cyclopenta-2,4-dien-1-yl(trimethyl)silane);scandium.

Molecular Properties

Compound Namebis(cyclopenta-2,4-dien-1-yl(trimethyl)silane);scandium
PubChem CID154427103
Molecular FormulaC16H26ScSi2-2
Molecular Weight319.51 g/mol
Exact Mass319.11
IUPAC Namebis(cyclopenta-2,4-dien-1-yl(trimethyl)silane);scandium
SMILESC[Si](C)(C)[c-]1cccc1.C[Si](C)(C)[c-]1cccc1.[Sc]
InChIInChI=1S/2C8H13Si.Sc/c2*1-9(2,3)8-6-4-5-7-8;/h2*4-7H,1-3H3;/q2*-1;
InChIKeyIUXNRGQZSXAIFX-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.51
LogP ≤ 53.90
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-2,4-dien-1-yl(trimethyl)silane);scandium?
The IUPAC name of bis(cyclopenta-2,4-dien-1-yl(trimethyl)silane);scandium (CID 154427103) is bis(cyclopenta-2,4-dien-1-yl(trimethyl)silane);scandium.
What is the SMILES notation for bis(cyclopenta-2,4-dien-1-yl(trimethyl)silane);scandium?
The canonical SMILES for bis(cyclopenta-2,4-dien-1-yl(trimethyl)silane);scandium is C[Si](C)(C)[c-]1cccc1.C[Si](C)(C)[c-]1cccc1.[Sc].
What is the InChIKey of bis(cyclopenta-2,4-dien-1-yl(trimethyl)silane);scandium?
The InChIKey is IUXNRGQZSXAIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H13Si.Sc/c2*1-9(2,3)8-6-4-5-7-8;/h2*4-7H,1-3H3;/q2*-1;.
What are the key properties of bis(cyclopenta-2,4-dien-1-yl(trimethyl)silane);scandium?
bis(cyclopenta-2,4-dien-1-yl(trimethyl)silane);scandium has a molecular weight of 319.51 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-2,4-dien-1-yl(trimethyl)silane);scandium is sourced from PubChem (CID 154427103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).