CID 134980946

C14H18FeOSi — CID 134980946

IUPAC—
SMILESC[Si](C)(C)[C]1[CH][CH][CH][C]1C=O.[CH]1[CH][CH][CH][CH]1.[Fe]
InChIInChI=1S/C9H13OSi.C5H5.Fe/c1-11(2,3)9-6-4-5-8(9)7-10;1-2-4-5-3-1;/h4-7H,1-3H3;1-5H;
InChIKeyADSVHGZKFLVJFN-UHFFFAOYSA-N
MW286.23 g/mol
LogP2.86
Rot. Bonds2

About CID 134980946

CID 134980946 (PubChem CID 134980946) has the molecular formula C14H18FeOSi and a molecular weight of 286.23 g/mol.

Molecular Properties

Compound NameCID 134980946
PubChem CID134980946
Molecular FormulaC14H18FeOSi
Molecular Weight286.23 g/mol
Exact Mass286.05
IUPAC Name—
SMILESC[Si](C)(C)[C]1[CH][CH][CH][C]1C=O.[CH]1[CH][CH][CH][CH]1.[Fe]
InChIInChI=1S/C9H13OSi.C5H5.Fe/c1-11(2,3)9-6-4-5-8(9)7-10;1-2-4-5-3-1;/h4-7H,1-3H3;1-5H;
InChIKeyADSVHGZKFLVJFN-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 134980946 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 134980946?
The IUPAC name of CID 134980946 (CID 134980946) is not available.
What is the SMILES notation for CID 134980946?
The canonical SMILES for CID 134980946 is C[Si](C)(C)[C]1[CH][CH][CH][C]1C=O.[CH]1[CH][CH][CH][CH]1.[Fe].
What is the InChIKey of CID 134980946?
The InChIKey is ADSVHGZKFLVJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13OSi.C5H5.Fe/c1-11(2,3)9-6-4-5-8(9)7-10;1-2-4-5-3-1;/h4-7H,1-3H3;1-5H;.
What are the key properties of CID 134980946?
CID 134980946 has a molecular weight of 286.23 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134980946 is sourced from PubChem (CID 134980946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).