CID 134899994

C22H28FeSi — CID 134899994

IUPAC—
SMILESC[C@@H](Cc1ccccc1)[C]1[CH][CH][CH][C]1[Si](C)(C)C.[CH]1[CH][CH][CH][CH]1.[Fe]
InChIInChI=1S/C17H23Si.C5H5.Fe/c1-14(13-15-9-6-5-7-10-15)16-11-8-12-17(16)18(2,3)4;1-2-4-5-3-1;/h5-12,14H,13H2,1-4H3;1-5H;/t14-;;/m0../s1
InChIKeyNINXHIVJRBGVPQ-UTLKBRERSA-N
MW376.40 g/mol
LogP5.54
Rot. Bonds4

About CID 134899994

CID 134899994 (PubChem CID 134899994) has the molecular formula C22H28FeSi and a molecular weight of 376.40 g/mol.

Molecular Properties

Compound NameCID 134899994
PubChem CID134899994
Molecular FormulaC22H28FeSi
Molecular Weight376.40 g/mol
Exact Mass376.13
IUPAC Name—
SMILESC[C@@H](Cc1ccccc1)[C]1[CH][CH][CH][C]1[Si](C)(C)C.[CH]1[CH][CH][CH][CH]1.[Fe]
InChIInChI=1S/C17H23Si.C5H5.Fe/c1-14(13-15-9-6-5-7-10-15)16-11-8-12-17(16)18(2,3)4;1-2-4-5-3-1;/h5-12,14H,13H2,1-4H3;1-5H;/t14-;;/m0../s1
InChIKeyNINXHIVJRBGVPQ-UTLKBRERSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.40
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 134899994?
The IUPAC name of CID 134899994 (CID 134899994) is not available.
What is the SMILES notation for CID 134899994?
The canonical SMILES for CID 134899994 is C[C@@H](Cc1ccccc1)[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 134899994?
The InChIKey is NINXHIVJRBGVPQ-UTLKBRERSA-N. The full InChI is InChI=1S/C17H23Si.C5H5.Fe/c1-14(13-15-9-6-5-7-10-15)16-11-8-12-17(16)18(2,3)4;1-2-4-5-3-1;/h5-12,14H,13H2,1-4H3;1-5H;/t14-;;/m0../s1.
What are the key properties of CID 134899994?
CID 134899994 has a molecular weight of 376.40 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134899994 is sourced from PubChem (CID 134899994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).