CID 59733261

C11H19O3Si — CID 59733261

IUPAC—
SMILESCOC1CC(CC[Si])CCC1OC(C)=O
InChIInChI=1S/C11H19O3Si/c1-8(12)14-10-4-3-9(5-6-15)7-11(10)13-2/h9-11H,3-7H2,1-2H3
InChIKeyXVGQIPLACZALMH-UHFFFAOYSA-N
MW227.36 g/mol
LogP1.71
Rot. Bonds4

About CID 59733261

CID 59733261 (PubChem CID 59733261) has the molecular formula C11H19O3Si and a molecular weight of 227.36 g/mol.

Molecular Properties

Compound NameCID 59733261
PubChem CID59733261
Molecular FormulaC11H19O3Si
Molecular Weight227.36 g/mol
Exact Mass227.11
IUPAC Name—
SMILESCOC1CC(CC[Si])CCC1OC(C)=O
InChIInChI=1S/C11H19O3Si/c1-8(12)14-10-4-3-9(5-6-15)7-11(10)13-2/h9-11H,3-7H2,1-2H3
InChIKeyXVGQIPLACZALMH-UHFFFAOYSA-N
XLogP1.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 51.71
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 59733261?
The IUPAC name of CID 59733261 (CID 59733261) is not available.
What is the SMILES notation for CID 59733261?
The canonical SMILES for CID 59733261 is COC1CC(CC[Si])CCC1OC(C)=O.
What is the InChIKey of CID 59733261?
The InChIKey is XVGQIPLACZALMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19O3Si/c1-8(12)14-10-4-3-9(5-6-15)7-11(10)13-2/h9-11H,3-7H2,1-2H3.
What are the key properties of CID 59733261?
CID 59733261 has a molecular weight of 227.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59733261 is sourced from PubChem (CID 59733261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).