CID 22280345

C14H28O7PSi — CID 22280345

IUPAC—
SMILESCOP(=O)(CC(=O)CC(CC(=O)OO[Si](C)C)C(C)(C)C)OC
InChIInChI=1S/C14H28O7PSi/c1-14(2,3)11(9-13(16)20-21-23(6)7)8-12(15)10-22(17,18-4)19-5/h11H,8-10H2,1-7H3
InChIKeyQBPHBXSCMXIQMG-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.21
Rot. Bonds10

About CID 22280345

CID 22280345 (PubChem CID 22280345) has the molecular formula C14H28O7PSi and a molecular weight of 367.43 g/mol.

Molecular Properties

Compound NameCID 22280345
PubChem CID22280345
Molecular FormulaC14H28O7PSi
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC Name—
SMILESCOP(=O)(CC(=O)CC(CC(=O)OO[Si](C)C)C(C)(C)C)OC
InChIInChI=1S/C14H28O7PSi/c1-14(2,3)11(9-13(16)20-21-23(6)7)8-12(15)10-22(17,18-4)19-5/h11H,8-10H2,1-7H3
InChIKeyQBPHBXSCMXIQMG-UHFFFAOYSA-N
XLogP3.21
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 22280345?
The IUPAC name of CID 22280345 (CID 22280345) is not available.
What is the SMILES notation for CID 22280345?
The canonical SMILES for CID 22280345 is COP(=O)(CC(=O)CC(CC(=O)OO[Si](C)C)C(C)(C)C)OC.
What is the InChIKey of CID 22280345?
The InChIKey is QBPHBXSCMXIQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O7PSi/c1-14(2,3)11(9-13(16)20-21-23(6)7)8-12(15)10-22(17,18-4)19-5/h11H,8-10H2,1-7H3.
What are the key properties of CID 22280345?
CID 22280345 has a molecular weight of 367.43 g/mol, XLogP of 3.21, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22280345 is sourced from PubChem (CID 22280345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).