CID 134899809

C15H20FeO2Si — CID 134899809

IUPAC—
SMILESCOC(=O)[C]1[CH][CH][CH][C]1[Si](C)(C)C.[CH]1[CH][CH][CH][CH]1.[Fe]
InChIInChI=1S/C10H15O2Si.C5H5.Fe/c1-12-10(11)8-6-5-7-9(8)13(2,3)4;1-2-4-5-3-1;/h5-7H,1-4H3;1-5H;
InChIKeyWAYNPFNROHOESY-UHFFFAOYSA-N
MW316.25 g/mol
LogP2.83
Rot. Bonds2

About CID 134899809

CID 134899809 (PubChem CID 134899809) has the molecular formula C15H20FeO2Si and a molecular weight of 316.25 g/mol.

Molecular Properties

Compound NameCID 134899809
PubChem CID134899809
Molecular FormulaC15H20FeO2Si
Molecular Weight316.25 g/mol
Exact Mass316.06
IUPAC Name—
SMILESCOC(=O)[C]1[CH][CH][CH][C]1[Si](C)(C)C.[CH]1[CH][CH][CH][CH]1.[Fe]
InChIInChI=1S/C10H15O2Si.C5H5.Fe/c1-12-10(11)8-6-5-7-9(8)13(2,3)4;1-2-4-5-3-1;/h5-7H,1-4H3;1-5H;
InChIKeyWAYNPFNROHOESY-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 134899809?
The IUPAC name of CID 134899809 (CID 134899809) is not available.
What is the SMILES notation for CID 134899809?
The canonical SMILES for CID 134899809 is COC(=O)[C]1[CH][CH][CH][C]1[Si](C)(C)C.[CH]1[CH][CH][CH][CH]1.[Fe].
What is the InChIKey of CID 134899809?
The InChIKey is WAYNPFNROHOESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O2Si.C5H5.Fe/c1-12-10(11)8-6-5-7-9(8)13(2,3)4;1-2-4-5-3-1;/h5-7H,1-4H3;1-5H;.
What are the key properties of CID 134899809?
CID 134899809 has a molecular weight of 316.25 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134899809 is sourced from PubChem (CID 134899809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).