CID 162696899

C16H34N2O2Si — CID 162696899

IUPAC—
SMILESCOC(OC)[Si]CCCNC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C16H34N2O2Si/c1-15(2)11-13(12-16(3,4)18(15)5)17-9-8-10-21-14(19-6)20-7/h13-14,17H,8-12H2,1-7H3
InChIKeyNPBQFPSHOWRVOO-UHFFFAOYSA-N
MW314.55 g/mol
LogP2.32
Rot. Bonds8

About CID 162696899

CID 162696899 (PubChem CID 162696899) has the molecular formula C16H34N2O2Si and a molecular weight of 314.55 g/mol.

Molecular Properties

Compound NameCID 162696899
PubChem CID162696899
Molecular FormulaC16H34N2O2Si
Molecular Weight314.55 g/mol
Exact Mass314.24
IUPAC Name—
SMILESCOC(OC)[Si]CCCNC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C16H34N2O2Si/c1-15(2)11-13(12-16(3,4)18(15)5)17-9-8-10-21-14(19-6)20-7/h13-14,17H,8-12H2,1-7H3
InChIKeyNPBQFPSHOWRVOO-UHFFFAOYSA-N
XLogP2.32
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.55
LogP ≤ 52.32
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 162696899?
The IUPAC name of CID 162696899 (CID 162696899) is not available.
What is the SMILES notation for CID 162696899?
The canonical SMILES for CID 162696899 is COC(OC)[Si]CCCNC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of CID 162696899?
The InChIKey is NPBQFPSHOWRVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2Si/c1-15(2)11-13(12-16(3,4)18(15)5)17-9-8-10-21-14(19-6)20-7/h13-14,17H,8-12H2,1-7H3.
What are the key properties of CID 162696899?
CID 162696899 has a molecular weight of 314.55 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162696899 is sourced from PubChem (CID 162696899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).