CID 176885630

C9H20O2Si — CID 176885630

IUPAC—
SMILESC[Si]OC(O)C(C)(C)C(C)(C)C
InChIInChI=1S/C9H20O2Si/c1-8(2,3)9(4,5)7(10)11-12-6/h7,10H,1-6H3
InChIKeyXTFBNWTXNGQMAR-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.06
Rot. Bonds3

About CID 176885630

CID 176885630 (PubChem CID 176885630) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol.

Molecular Properties

Compound NameCID 176885630
PubChem CID176885630
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name—
SMILESC[Si]OC(O)C(C)(C)C(C)(C)C
InChIInChI=1S/C9H20O2Si/c1-8(2,3)9(4,5)7(10)11-12-6/h7,10H,1-6H3
InChIKeyXTFBNWTXNGQMAR-UHFFFAOYSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 176885630?
The IUPAC name of CID 176885630 (CID 176885630) is not available.
What is the SMILES notation for CID 176885630?
The canonical SMILES for CID 176885630 is C[Si]OC(O)C(C)(C)C(C)(C)C.
What is the InChIKey of CID 176885630?
The InChIKey is XTFBNWTXNGQMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-8(2,3)9(4,5)7(10)11-12-6/h7,10H,1-6H3.
What are the key properties of CID 176885630?
CID 176885630 has a molecular weight of 188.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176885630 is sourced from PubChem (CID 176885630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).