CID 162696893

C17H36N2O2Si — CID 162696893

IUPAC—
SMILESCCOC(OCC)[Si]CCCN1C(C)(C)CC(N)CC1(C)C
InChIInChI=1S/C17H36N2O2Si/c1-7-20-15(21-8-2)22-11-9-10-19-16(3,4)12-14(18)13-17(19,5)6/h14-15H,7-13,18H2,1-6H3
InChIKeyOHQNVUXPQHCTQN-UHFFFAOYSA-N
MW328.57 g/mol
LogP2.84
Rot. Bonds9

About CID 162696893

CID 162696893 (PubChem CID 162696893) has the molecular formula C17H36N2O2Si and a molecular weight of 328.57 g/mol.

Molecular Properties

Compound NameCID 162696893
PubChem CID162696893
Molecular FormulaC17H36N2O2Si
Molecular Weight328.57 g/mol
Exact Mass328.25
IUPAC Name—
SMILESCCOC(OCC)[Si]CCCN1C(C)(C)CC(N)CC1(C)C
InChIInChI=1S/C17H36N2O2Si/c1-7-20-15(21-8-2)22-11-9-10-19-16(3,4)12-14(18)13-17(19,5)6/h14-15H,7-13,18H2,1-6H3
InChIKeyOHQNVUXPQHCTQN-UHFFFAOYSA-N
XLogP2.84
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 162696893?
The IUPAC name of CID 162696893 (CID 162696893) is not available.
What is the SMILES notation for CID 162696893?
The canonical SMILES for CID 162696893 is CCOC(OCC)[Si]CCCN1C(C)(C)CC(N)CC1(C)C.
What is the InChIKey of CID 162696893?
The InChIKey is OHQNVUXPQHCTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2Si/c1-7-20-15(21-8-2)22-11-9-10-19-16(3,4)12-14(18)13-17(19,5)6/h14-15H,7-13,18H2,1-6H3.
What are the key properties of CID 162696893?
CID 162696893 has a molecular weight of 328.57 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162696893 is sourced from PubChem (CID 162696893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).