CID 87823121

C7H20NO3Si — CID 87823121

IUPAC—
SMILESCCCCN.CO[Si](OC)OC
InChIInChI=1S/C4H11N.C3H9O3Si/c1-2-3-4-5;1-4-7(5-2)6-3/h2-5H2,1H3;1-3H3
InChIKeyDAPWBPSAQURBMP-UHFFFAOYSA-N
MW194.33 g/mol
LogP0.66
Rot. Bonds5

About CID 87823121

CID 87823121 (PubChem CID 87823121) has the molecular formula C7H20NO3Si and a molecular weight of 194.33 g/mol.

Molecular Properties

Compound NameCID 87823121
PubChem CID87823121
Molecular FormulaC7H20NO3Si
Molecular Weight194.33 g/mol
Exact Mass194.12
IUPAC Name—
SMILESCCCCN.CO[Si](OC)OC
InChIInChI=1S/C4H11N.C3H9O3Si/c1-2-3-4-5;1-4-7(5-2)6-3/h2-5H2,1H3;1-3H3
InChIKeyDAPWBPSAQURBMP-UHFFFAOYSA-N
XLogP0.66
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 87823121?
The IUPAC name of CID 87823121 (CID 87823121) is not available.
What is the SMILES notation for CID 87823121?
The canonical SMILES for CID 87823121 is CCCCN.CO[Si](OC)OC.
What is the InChIKey of CID 87823121?
The InChIKey is DAPWBPSAQURBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C3H9O3Si/c1-2-3-4-5;1-4-7(5-2)6-3/h2-5H2,1H3;1-3H3.
What are the key properties of CID 87823121?
CID 87823121 has a molecular weight of 194.33 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87823121 is sourced from PubChem (CID 87823121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).