CID 134899404

C19H31CoOSi2 — CID 134899404

IUPAC—
SMILESC[Si](C)(C)C1=C([Si](C)(C)C)OC2CCCC2=C1.[CH]1C=CC=C1.[Co]
InChIInChI=1S/C14H26OSi2.C5H5.Co/c1-16(2,3)13-10-11-8-7-9-12(11)15-14(13)17(4,5)6;1-2-4-5-3-1;/h10,12H,7-9H2,1-6H3;1-5H;
InChIKeyZOENFAAFUYNITE-UHFFFAOYSA-N
MW390.56 g/mol
LogP5.82
Rot. Bonds2

About CID 134899404

CID 134899404 (PubChem CID 134899404) has the molecular formula C19H31CoOSi2 and a molecular weight of 390.56 g/mol.

Molecular Properties

Compound NameCID 134899404
PubChem CID134899404
Molecular FormulaC19H31CoOSi2
Molecular Weight390.56 g/mol
Exact Mass390.12
IUPAC Name—
SMILESC[Si](C)(C)C1=C([Si](C)(C)C)OC2CCCC2=C1.[CH]1C=CC=C1.[Co]
InChIInChI=1S/C14H26OSi2.C5H5.Co/c1-16(2,3)13-10-11-8-7-9-12(11)15-14(13)17(4,5)6;1-2-4-5-3-1;/h10,12H,7-9H2,1-6H3;1-5H;
InChIKeyZOENFAAFUYNITE-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 134899404?
The IUPAC name of CID 134899404 (CID 134899404) is not available.
What is the SMILES notation for CID 134899404?
The canonical SMILES for CID 134899404 is C[Si](C)(C)C1=C([Si](C)(C)C)OC2CCCC2=C1.[CH]1C=CC=C1.[Co].
What is the InChIKey of CID 134899404?
The InChIKey is ZOENFAAFUYNITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OSi2.C5H5.Co/c1-16(2,3)13-10-11-8-7-9-12(11)15-14(13)17(4,5)6;1-2-4-5-3-1;/h10,12H,7-9H2,1-6H3;1-5H;.
What are the key properties of CID 134899404?
CID 134899404 has a molecular weight of 390.56 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134899404 is sourced from PubChem (CID 134899404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).