CID 70906736

C20H33N5O2Si — CID 70906736

IUPAC—
SMILESCC[Si]N/N=N/CCN1CCC(COC)(N(C(=O)CC)c2ccccc2)CC1
InChIInChI=1S/C20H33N5O2Si/c1-4-19(26)25(18-9-7-6-8-10-18)20(17-27-3)11-14-24(15-12-20)16-13-21-22-23-28-5-2/h6-10H,4-5,11-17H2,1-3H3,(H,21,23)
InChIKeyCOGSNQLOVFTCAS-UHFFFAOYSA-N
MW403.60 g/mol
LogP2.92
Rot. Bonds11

About CID 70906736

CID 70906736 (PubChem CID 70906736) has the molecular formula C20H33N5O2Si and a molecular weight of 403.60 g/mol.

Molecular Properties

Compound NameCID 70906736
PubChem CID70906736
Molecular FormulaC20H33N5O2Si
Molecular Weight403.60 g/mol
Exact Mass403.24
IUPAC Name—
SMILESCC[Si]N/N=N/CCN1CCC(COC)(N(C(=O)CC)c2ccccc2)CC1
InChIInChI=1S/C20H33N5O2Si/c1-4-19(26)25(18-9-7-6-8-10-18)20(17-27-3)11-14-24(15-12-20)16-13-21-22-23-28-5-2/h6-10H,4-5,11-17H2,1-3H3,(H,21,23)
InChIKeyCOGSNQLOVFTCAS-UHFFFAOYSA-N
XLogP2.92
TPSA69.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.60
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 70906736?
The IUPAC name of CID 70906736 (CID 70906736) is not available.
What is the SMILES notation for CID 70906736?
The canonical SMILES for CID 70906736 is CC[Si]N/N=N/CCN1CCC(COC)(N(C(=O)CC)c2ccccc2)CC1.
What is the InChIKey of CID 70906736?
The InChIKey is COGSNQLOVFTCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2Si/c1-4-19(26)25(18-9-7-6-8-10-18)20(17-27-3)11-14-24(15-12-20)16-13-21-22-23-28-5-2/h6-10H,4-5,11-17H2,1-3H3,(H,21,23).
What are the key properties of CID 70906736?
CID 70906736 has a molecular weight of 403.60 g/mol, XLogP of 2.92, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70906736 is sourced from PubChem (CID 70906736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).