CID 18950106

C4H8OSiZr+2 — CID 18950106

IUPAC—
SMILESC1CC[Si]OC1.[Zr+2]
InChIInChI=1S/C4H8OSi.Zr/c1-2-4-6-5-3-1;/h1-4H2;/q;+2
InChIKeyPKXJSJWJOIZUFY-UHFFFAOYSA-N
MW191.42 g/mol
LogP0.83
Rot. Bonds

About CID 18950106

CID 18950106 (PubChem CID 18950106) has the molecular formula C4H8OSiZr+2 and a molecular weight of 191.42 g/mol.

Molecular Properties

Compound NameCID 18950106
PubChem CID18950106
Molecular FormulaC4H8OSiZr+2
Molecular Weight191.42 g/mol
Exact Mass189.94
IUPAC Name—
SMILESC1CC[Si]OC1.[Zr+2]
InChIInChI=1S/C4H8OSi.Zr/c1-2-4-6-5-3-1;/h1-4H2;/q;+2
InChIKeyPKXJSJWJOIZUFY-UHFFFAOYSA-N
XLogP0.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.42
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 CID 18950106?
The IUPAC name of CID 18950106 (CID 18950106) is not available.
What is the SMILES notation for CID 18950106?
The canonical SMILES for CID 18950106 is C1CC[Si]OC1.[Zr+2].
What is the InChIKey of CID 18950106?
The InChIKey is PKXJSJWJOIZUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OSi.Zr/c1-2-4-6-5-3-1;/h1-4H2;/q;+2.
What are the key properties of CID 18950106?
CID 18950106 has a molecular weight of 191.42 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18950106 is sourced from PubChem (CID 18950106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).