CID 59128086

C9H17O4Si — CID 59128086

IUPAC—
SMILESC[Si](C)CCC(CC(=O)O)CC(=O)O
InChIInChI=1S/C9H17O4Si/c1-14(2)4-3-7(5-8(10)11)6-9(12)13/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyGUHYIIJNBYMABX-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.70
Rot. Bonds7

About CID 59128086

CID 59128086 (PubChem CID 59128086) has the molecular formula C9H17O4Si and a molecular weight of 217.32 g/mol.

Molecular Properties

Compound NameCID 59128086
PubChem CID59128086
Molecular FormulaC9H17O4Si
Molecular Weight217.32 g/mol
Exact Mass217.09
IUPAC Name—
SMILESC[Si](C)CCC(CC(=O)O)CC(=O)O
InChIInChI=1S/C9H17O4Si/c1-14(2)4-3-7(5-8(10)11)6-9(12)13/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyGUHYIIJNBYMABX-UHFFFAOYSA-N
XLogP1.70
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59128086?
The IUPAC name of CID 59128086 (CID 59128086) is not available.
What is the SMILES notation for CID 59128086?
The canonical SMILES for CID 59128086 is C[Si](C)CCC(CC(=O)O)CC(=O)O.
What is the InChIKey of CID 59128086?
The InChIKey is GUHYIIJNBYMABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O4Si/c1-14(2)4-3-7(5-8(10)11)6-9(12)13/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of CID 59128086?
CID 59128086 has a molecular weight of 217.32 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59128086 is sourced from PubChem (CID 59128086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).