CID 22630444

C9H17O2Si — CID 22630444

IUPAC—
SMILESC[Si](O)CCC1CCC2OC2C1
InChIInChI=1S/C9H17O2Si/c1-12(10)5-4-7-2-3-8-9(6-7)11-8/h7-10H,2-6H2,1H3
InChIKeyPURSPEWNIPUMOS-UHFFFAOYSA-N
MW185.32 g/mol
LogP1.56
Rot. Bonds3

About CID 22630444

CID 22630444 (PubChem CID 22630444) has the molecular formula C9H17O2Si and a molecular weight of 185.32 g/mol.

Molecular Properties

Compound NameCID 22630444
PubChem CID22630444
Molecular FormulaC9H17O2Si
Molecular Weight185.32 g/mol
Exact Mass185.10
IUPAC Name—
SMILESC[Si](O)CCC1CCC2OC2C1
InChIInChI=1S/C9H17O2Si/c1-12(10)5-4-7-2-3-8-9(6-7)11-8/h7-10H,2-6H2,1H3
InChIKeyPURSPEWNIPUMOS-UHFFFAOYSA-N
XLogP1.56
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 22630444?
The IUPAC name of CID 22630444 (CID 22630444) is not available.
What is the SMILES notation for CID 22630444?
The canonical SMILES for CID 22630444 is C[Si](O)CCC1CCC2OC2C1.
What is the InChIKey of CID 22630444?
The InChIKey is PURSPEWNIPUMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O2Si/c1-12(10)5-4-7-2-3-8-9(6-7)11-8/h7-10H,2-6H2,1H3.
What are the key properties of CID 22630444?
CID 22630444 has a molecular weight of 185.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22630444 is sourced from PubChem (CID 22630444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).