CID 58422062

C8H15NOSi — CID 58422062

IUPAC—
SMILESC=CC(=O)N(C)CCC[Si]C
InChIInChI=1S/C8H15NOSi/c1-4-8(10)9(2)6-5-7-11-3/h4H,1,5-7H2,2-3H3
InChIKeyBUAHYRSTLLVBSI-UHFFFAOYSA-N
MW169.30 g/mol
LogP1.19
Rot. Bonds5

About CID 58422062

CID 58422062 (PubChem CID 58422062) has the molecular formula C8H15NOSi and a molecular weight of 169.30 g/mol.

Molecular Properties

Compound NameCID 58422062
PubChem CID58422062
Molecular FormulaC8H15NOSi
Molecular Weight169.30 g/mol
Exact Mass169.09
IUPAC Name—
SMILESC=CC(=O)N(C)CCC[Si]C
InChIInChI=1S/C8H15NOSi/c1-4-8(10)9(2)6-5-7-11-3/h4H,1,5-7H2,2-3H3
InChIKeyBUAHYRSTLLVBSI-UHFFFAOYSA-N
XLogP1.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.30
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58422062?
The IUPAC name of CID 58422062 (CID 58422062) is not available.
What is the SMILES notation for CID 58422062?
The canonical SMILES for CID 58422062 is C=CC(=O)N(C)CCC[Si]C.
What is the InChIKey of CID 58422062?
The InChIKey is BUAHYRSTLLVBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOSi/c1-4-8(10)9(2)6-5-7-11-3/h4H,1,5-7H2,2-3H3.
What are the key properties of CID 58422062?
CID 58422062 has a molecular weight of 169.30 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58422062 is sourced from PubChem (CID 58422062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).