CID 22942586

C15H21O3Si — CID 22942586

IUPAC—
SMILESOCc1ccc(OC2CCCC(CC[Si])C2O)cc1
InChIInChI=1S/C15H21O3Si/c16-10-11-4-6-13(7-5-11)18-14-3-1-2-12(8-9-19)15(14)17/h4-7,12,14-17H,1-3,8-10H2
InChIKeyUQCSXKGKTGJICK-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.06
Rot. Bonds5

About CID 22942586

CID 22942586 (PubChem CID 22942586) has the molecular formula C15H21O3Si and a molecular weight of 277.42 g/mol.

Molecular Properties

Compound NameCID 22942586
PubChem CID22942586
Molecular FormulaC15H21O3Si
Molecular Weight277.42 g/mol
Exact Mass277.13
IUPAC Name—
SMILESOCc1ccc(OC2CCCC(CC[Si])C2O)cc1
InChIInChI=1S/C15H21O3Si/c16-10-11-4-6-13(7-5-11)18-14-3-1-2-12(8-9-19)15(14)17/h4-7,12,14-17H,1-3,8-10H2
InChIKeyUQCSXKGKTGJICK-UHFFFAOYSA-N
XLogP2.06
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 22942586?
The IUPAC name of CID 22942586 (CID 22942586) is not available.
What is the SMILES notation for CID 22942586?
The canonical SMILES for CID 22942586 is OCc1ccc(OC2CCCC(CC[Si])C2O)cc1.
What is the InChIKey of CID 22942586?
The InChIKey is UQCSXKGKTGJICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21O3Si/c16-10-11-4-6-13(7-5-11)18-14-3-1-2-12(8-9-19)15(14)17/h4-7,12,14-17H,1-3,8-10H2.
What are the key properties of CID 22942586?
CID 22942586 has a molecular weight of 277.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22942586 is sourced from PubChem (CID 22942586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).