(1-methoxy-3-trimethylsilylprop-2-ynylidene)iron(1+)

C7H12FeOSi+ — CID 135046973

IUPAC(1-methoxy-3-trimethylsilylprop-2-ynylidene)iron(1+)
SMILESCOC(=[Fe+])C#C[Si](C)(C)C
InChIInChI=1S/C7H12OSi.Fe/c1-8-6-5-7-9(2,3)4;/h1-4H3;/q;+1
InChIKeyGRXLNNQQKAQNNW-UHFFFAOYSA-N
MW196.10 g/mol
LogP1.19
Rot. Bonds1

About (1-methoxy-3-trimethylsilylprop-2-ynylidene)iron(1+)

(1-methoxy-3-trimethylsilylprop-2-ynylidene)iron(1+) (PubChem CID 135046973) has the molecular formula C7H12FeOSi+ and a molecular weight of 196.10 g/mol. Its IUPAC name is (1-methoxy-3-trimethylsilylprop-2-ynylidene)iron(1+).

Molecular Properties

Compound Name(1-methoxy-3-trimethylsilylprop-2-ynylidene)iron(1+)
PubChem CID135046973
Molecular FormulaC7H12FeOSi+
Molecular Weight196.10 g/mol
Exact Mass196.00
IUPAC Name(1-methoxy-3-trimethylsilylprop-2-ynylidene)iron(1+)
SMILESCOC(=[Fe+])C#C[Si](C)(C)C
InChIInChI=1S/C7H12OSi.Fe/c1-8-6-5-7-9(2,3)4;/h1-4H3;/q;+1
InChIKeyGRXLNNQQKAQNNW-UHFFFAOYSA-N
XLogP1.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methoxy-3-trimethylsilylprop-2-ynylidene)iron(1+)?
The IUPAC name of (1-methoxy-3-trimethylsilylprop-2-ynylidene)iron(1+) (CID 135046973) is (1-methoxy-3-trimethylsilylprop-2-ynylidene)iron(1+).
What is the SMILES notation for (1-methoxy-3-trimethylsilylprop-2-ynylidene)iron(1+)?
The canonical SMILES for (1-methoxy-3-trimethylsilylprop-2-ynylidene)iron(1+) is COC(=[Fe+])C#C[Si](C)(C)C.
What is the InChIKey of (1-methoxy-3-trimethylsilylprop-2-ynylidene)iron(1+)?
The InChIKey is GRXLNNQQKAQNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OSi.Fe/c1-8-6-5-7-9(2,3)4;/h1-4H3;/q;+1.
What are the key properties of (1-methoxy-3-trimethylsilylprop-2-ynylidene)iron(1+)?
(1-methoxy-3-trimethylsilylprop-2-ynylidene)iron(1+) has a molecular weight of 196.10 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-3-trimethylsilylprop-2-ynylidene)iron(1+) is sourced from PubChem (CID 135046973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).