CID 18365627

C12H25O2Si — CID 18365627

IUPAC—
SMILESCO[Si](OC)C1(CC(C)C)CCCCC1
InChIInChI=1S/C12H25O2Si/c1-11(2)10-12(15(13-3)14-4)8-6-5-7-9-12/h11H,5-10H2,1-4H3
InChIKeyDVAHPDCYQLLHCK-UHFFFAOYSA-N
MW229.42 g/mol
LogP3.52
Rot. Bonds5

About CID 18365627

CID 18365627 (PubChem CID 18365627) has the molecular formula C12H25O2Si and a molecular weight of 229.42 g/mol.

Molecular Properties

Compound NameCID 18365627
PubChem CID18365627
Molecular FormulaC12H25O2Si
Molecular Weight229.42 g/mol
Exact Mass229.16
IUPAC Name—
SMILESCO[Si](OC)C1(CC(C)C)CCCCC1
InChIInChI=1S/C12H25O2Si/c1-11(2)10-12(15(13-3)14-4)8-6-5-7-9-12/h11H,5-10H2,1-4H3
InChIKeyDVAHPDCYQLLHCK-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 18365627?
The IUPAC name of CID 18365627 (CID 18365627) is not available.
What is the SMILES notation for CID 18365627?
The canonical SMILES for CID 18365627 is CO[Si](OC)C1(CC(C)C)CCCCC1.
What is the InChIKey of CID 18365627?
The InChIKey is DVAHPDCYQLLHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25O2Si/c1-11(2)10-12(15(13-3)14-4)8-6-5-7-9-12/h11H,5-10H2,1-4H3.
What are the key properties of CID 18365627?
CID 18365627 has a molecular weight of 229.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18365627 is sourced from PubChem (CID 18365627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).