di(cyclopenta-1,3-dien-1-yl)methylidene-dimethylsilylidenezirconium

C13H16SiZr — CID 173300628

IUPACdi(cyclopenta-1,3-dien-1-yl)methylidene-dimethylsilylidenezirconium
SMILESC[Si](C)=[Zr]=C(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C11H10.C2H6Si.Zr/c1-2-6-10(5-1)9-11-7-3-4-8-11;1-3-2;/h1-5,7H,6,8H2;1-2H3;
InChIKeyGYPXYHFFJWTCQS-UHFFFAOYSA-N
MW291.58 g/mol
LogP3.27
Rot. Bonds2

About di(cyclopenta-1,3-dien-1-yl)methylidene-dimethylsilylidenezirconium

di(cyclopenta-1,3-dien-1-yl)methylidene-dimethylsilylidenezirconium (PubChem CID 173300628) has the molecular formula C13H16SiZr and a molecular weight of 291.58 g/mol. Its IUPAC name is di(cyclopenta-1,3-dien-1-yl)methylidene-dimethylsilylidenezirconium.

Molecular Properties

Compound Namedi(cyclopenta-1,3-dien-1-yl)methylidene-dimethylsilylidenezirconium
PubChem CID173300628
Molecular FormulaC13H16SiZr
Molecular Weight291.58 g/mol
Exact Mass290.01
IUPAC Namedi(cyclopenta-1,3-dien-1-yl)methylidene-dimethylsilylidenezirconium
SMILESC[Si](C)=[Zr]=C(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C11H10.C2H6Si.Zr/c1-2-6-10(5-1)9-11-7-3-4-8-11;1-3-2;/h1-5,7H,6,8H2;1-2H3;
InChIKeyGYPXYHFFJWTCQS-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.58
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of di(cyclopenta-1,3-dien-1-yl)methylidene-dimethylsilylidenezirconium?
The IUPAC name of di(cyclopenta-1,3-dien-1-yl)methylidene-dimethylsilylidenezirconium (CID 173300628) is di(cyclopenta-1,3-dien-1-yl)methylidene-dimethylsilylidenezirconium.
What is the SMILES notation for di(cyclopenta-1,3-dien-1-yl)methylidene-dimethylsilylidenezirconium?
The canonical SMILES for di(cyclopenta-1,3-dien-1-yl)methylidene-dimethylsilylidenezirconium is C[Si](C)=[Zr]=C(C1=CC=CC1)C1=CC=CC1.
What is the InChIKey of di(cyclopenta-1,3-dien-1-yl)methylidene-dimethylsilylidenezirconium?
The InChIKey is GYPXYHFFJWTCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C2H6Si.Zr/c1-2-6-10(5-1)9-11-7-3-4-8-11;1-3-2;/h1-5,7H,6,8H2;1-2H3;.
What are the key properties of di(cyclopenta-1,3-dien-1-yl)methylidene-dimethylsilylidenezirconium?
di(cyclopenta-1,3-dien-1-yl)methylidene-dimethylsilylidenezirconium has a molecular weight of 291.58 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclopenta-1,3-dien-1-yl)methylidene-dimethylsilylidenezirconium is sourced from PubChem (CID 173300628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).