(2,7-dimethyl-1H-inden-1-id-4-yl)methoxy-trimethylsilane;zirconium(3+);dichloride

C15H21Cl2OSiZr — CID 157147300

IUPAC(2,7-dimethyl-1H-inden-1-id-4-yl)methoxy-trimethylsilane;zirconium(3+);dichloride
SMILESCc1cc2c(CO[Si](C)(C)C)ccc(C)c2[cH-]1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C15H21OSi.2ClH.Zr/c1-11-8-14-12(2)6-7-13(15(14)9-11)10-16-17(3,4)5;;;/h6-9H,10H2,1-5H3;2*1H;/q-1;;;+3/p-2
InChIKeyRXRJMWUAMNIGBL-UHFFFAOYSA-L
MW407.55 g/mol
LogP-1.47
Rot. Bonds3

About (2,7-dimethyl-1H-inden-1-id-4-yl)methoxy-trimethylsilane;zirconium(3+);dichloride

(2,7-dimethyl-1H-inden-1-id-4-yl)methoxy-trimethylsilane;zirconium(3+);dichloride (PubChem CID 157147300) has the molecular formula C15H21Cl2OSiZr and a molecular weight of 407.55 g/mol. Its IUPAC name is (2,7-dimethyl-1H-inden-1-id-4-yl)methoxy-trimethylsilane;zirconium(3+);dichloride.

Molecular Properties

Compound Name(2,7-dimethyl-1H-inden-1-id-4-yl)methoxy-trimethylsilane;zirconium(3+);dichloride
PubChem CID157147300
Molecular FormulaC15H21Cl2OSiZr
Molecular Weight407.55 g/mol
Exact Mass404.98
IUPAC Name(2,7-dimethyl-1H-inden-1-id-4-yl)methoxy-trimethylsilane;zirconium(3+);dichloride
SMILESCc1cc2c(CO[Si](C)(C)C)ccc(C)c2[cH-]1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C15H21OSi.2ClH.Zr/c1-11-8-14-12(2)6-7-13(15(14)9-11)10-16-17(3,4)5;;;/h6-9H,10H2,1-5H3;2*1H;/q-1;;;+3/p-2
InChIKeyRXRJMWUAMNIGBL-UHFFFAOYSA-L
XLogP-1.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.55
LogP ≤ 5-1.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2,7-dimethyl-1H-inden-1-id-4-yl)methoxy-trimethylsilane;zirconium(3+);dichloride?
The IUPAC name of (2,7-dimethyl-1H-inden-1-id-4-yl)methoxy-trimethylsilane;zirconium(3+);dichloride (CID 157147300) is (2,7-dimethyl-1H-inden-1-id-4-yl)methoxy-trimethylsilane;zirconium(3+);dichloride.
What is the SMILES notation for (2,7-dimethyl-1H-inden-1-id-4-yl)methoxy-trimethylsilane;zirconium(3+);dichloride?
The canonical SMILES for (2,7-dimethyl-1H-inden-1-id-4-yl)methoxy-trimethylsilane;zirconium(3+);dichloride is Cc1cc2c(CO[Si](C)(C)C)ccc(C)c2[cH-]1.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of (2,7-dimethyl-1H-inden-1-id-4-yl)methoxy-trimethylsilane;zirconium(3+);dichloride?
The InChIKey is RXRJMWUAMNIGBL-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H21OSi.2ClH.Zr/c1-11-8-14-12(2)6-7-13(15(14)9-11)10-16-17(3,4)5;;;/h6-9H,10H2,1-5H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of (2,7-dimethyl-1H-inden-1-id-4-yl)methoxy-trimethylsilane;zirconium(3+);dichloride?
(2,7-dimethyl-1H-inden-1-id-4-yl)methoxy-trimethylsilane;zirconium(3+);dichloride has a molecular weight of 407.55 g/mol, XLogP of -1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethyl-1H-inden-1-id-4-yl)methoxy-trimethylsilane;zirconium(3+);dichloride is sourced from PubChem (CID 157147300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).