CID 19895837

C11H23O3Si — CID 19895837

IUPAC
SMILESC=CCOC(CC)C[Si](OCC)OCC
InChIInChI=1S/C11H23O3Si/c1-5-9-12-11(6-2)10-15(13-7-3)14-8-4/h5,11H,1,6-10H2,2-4H3
InChIKeySNXHJMWMQNOSGJ-UHFFFAOYSA-N
MW231.39 g/mol
LogP2.53
Rot. Bonds10

About CID 19895837

CID 19895837 (PubChem CID 19895837) has the molecular formula C11H23O3Si and a molecular weight of 231.39 g/mol.

Molecular Properties

Compound NameCID 19895837
PubChem CID19895837
Molecular FormulaC11H23O3Si
Molecular Weight231.39 g/mol
Exact Mass231.14
IUPAC Name
SMILESC=CCOC(CC)C[Si](OCC)OCC
InChIInChI=1S/C11H23O3Si/c1-5-9-12-11(6-2)10-15(13-7-3)14-8-4/h5,11H,1,6-10H2,2-4H3
InChIKeySNXHJMWMQNOSGJ-UHFFFAOYSA-N
XLogP2.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 19895837?
The IUPAC name of CID 19895837 (CID 19895837) is not available.
What is the SMILES notation for CID 19895837?
The canonical SMILES for CID 19895837 is C=CCOC(CC)C[Si](OCC)OCC.
What is the InChIKey of CID 19895837?
The InChIKey is SNXHJMWMQNOSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O3Si/c1-5-9-12-11(6-2)10-15(13-7-3)14-8-4/h5,11H,1,6-10H2,2-4H3.
What are the key properties of CID 19895837?
CID 19895837 has a molecular weight of 231.39 g/mol, XLogP of 2.53, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19895837 is sourced from PubChem (CID 19895837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).