CID 134899904

C21H31CoSi — CID 134899904

IUPAC—
SMILESC[Si](C)(C)C1=C2CCCCC2=C2CCC[C@@H]2C1.[CH]1C=CC=C1.[Co]
InChIInChI=1S/C16H26Si.C5H5.Co/c1-17(2,3)16-11-12-7-6-10-13(12)14-8-4-5-9-15(14)16;1-2-4-5-3-1;/h12H,4-11H2,1-3H3;1-5H;/t12-;;/m1../s1
InChIKeySYQLMSBZUPRNSJ-CURYUGHLSA-N
MW370.50 g/mol
LogP6.55
Rot. Bonds1

About CID 134899904

CID 134899904 (PubChem CID 134899904) has the molecular formula C21H31CoSi and a molecular weight of 370.50 g/mol.

Molecular Properties

Compound NameCID 134899904
PubChem CID134899904
Molecular FormulaC21H31CoSi
Molecular Weight370.50 g/mol
Exact Mass370.15
IUPAC Name—
SMILESC[Si](C)(C)C1=C2CCCCC2=C2CCC[C@@H]2C1.[CH]1C=CC=C1.[Co]
InChIInChI=1S/C16H26Si.C5H5.Co/c1-17(2,3)16-11-12-7-6-10-13(12)14-8-4-5-9-15(14)16;1-2-4-5-3-1;/h12H,4-11H2,1-3H3;1-5H;/t12-;;/m1../s1
InChIKeySYQLMSBZUPRNSJ-CURYUGHLSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 56.55
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 134899904?
The IUPAC name of CID 134899904 (CID 134899904) is not available.
What is the SMILES notation for CID 134899904?
The canonical SMILES for CID 134899904 is C[Si](C)(C)C1=C2CCCCC2=C2CCC[C@@H]2C1.[CH]1C=CC=C1.[Co].
What is the InChIKey of CID 134899904?
The InChIKey is SYQLMSBZUPRNSJ-CURYUGHLSA-N. The full InChI is InChI=1S/C16H26Si.C5H5.Co/c1-17(2,3)16-11-12-7-6-10-13(12)14-8-4-5-9-15(14)16;1-2-4-5-3-1;/h12H,4-11H2,1-3H3;1-5H;/t12-;;/m1../s1.
What are the key properties of CID 134899904?
CID 134899904 has a molecular weight of 370.50 g/mol, XLogP of 6.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134899904 is sourced from PubChem (CID 134899904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).