CID 69484745

C12H22O3Si — CID 69484745

IUPAC—
SMILESCC(C)(C)[Si]OC(C)(C)C1CC(=O)CCO1
InChIInChI=1S/C12H22O3Si/c1-11(2,3)16-15-12(4,5)10-8-9(13)6-7-14-10/h10H,6-8H2,1-5H3
InChIKeySRGJQLQNMYLZET-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.37
Rot. Bonds3

About CID 69484745

CID 69484745 (PubChem CID 69484745) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol.

Molecular Properties

Compound NameCID 69484745
PubChem CID69484745
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name—
SMILESCC(C)(C)[Si]OC(C)(C)C1CC(=O)CCO1
InChIInChI=1S/C12H22O3Si/c1-11(2,3)16-15-12(4,5)10-8-9(13)6-7-14-10/h10H,6-8H2,1-5H3
InChIKeySRGJQLQNMYLZET-UHFFFAOYSA-N
XLogP2.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
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 69484745?
The IUPAC name of CID 69484745 (CID 69484745) is not available.
What is the SMILES notation for CID 69484745?
The canonical SMILES for CID 69484745 is CC(C)(C)[Si]OC(C)(C)C1CC(=O)CCO1.
What is the InChIKey of CID 69484745?
The InChIKey is SRGJQLQNMYLZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-11(2,3)16-15-12(4,5)10-8-9(13)6-7-14-10/h10H,6-8H2,1-5H3.
What are the key properties of CID 69484745?
CID 69484745 has a molecular weight of 242.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69484745 is sourced from PubChem (CID 69484745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).