CID 68792381

C14H25O2Si — CID 68792381

IUPAC
SMILESCCO[Si](OCC=CC1CC1)C1CCCCC1
InChIInChI=1S/C14H25O2Si/c1-2-15-17(14-8-4-3-5-9-14)16-12-6-7-13-10-11-13/h6-7,13-14H,2-5,8-12H2,1H3
InChIKeyRLZRAUARLBRXAV-UHFFFAOYSA-N
MW253.44 g/mol
LogP3.83
Rot. Bonds7

About CID 68792381

CID 68792381 (PubChem CID 68792381) has the molecular formula C14H25O2Si and a molecular weight of 253.44 g/mol.

Molecular Properties

Compound NameCID 68792381
PubChem CID68792381
Molecular FormulaC14H25O2Si
Molecular Weight253.44 g/mol
Exact Mass253.16
IUPAC Name
SMILESCCO[Si](OCC=CC1CC1)C1CCCCC1
InChIInChI=1S/C14H25O2Si/c1-2-15-17(14-8-4-3-5-9-14)16-12-6-7-13-10-11-13/h6-7,13-14H,2-5,8-12H2,1H3
InChIKeyRLZRAUARLBRXAV-UHFFFAOYSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 68792381?
The IUPAC name of CID 68792381 (CID 68792381) is not available.
What is the SMILES notation for CID 68792381?
The canonical SMILES for CID 68792381 is CCO[Si](OCC=CC1CC1)C1CCCCC1.
What is the InChIKey of CID 68792381?
The InChIKey is RLZRAUARLBRXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25O2Si/c1-2-15-17(14-8-4-3-5-9-14)16-12-6-7-13-10-11-13/h6-7,13-14H,2-5,8-12H2,1H3.
What are the key properties of CID 68792381?
CID 68792381 has a molecular weight of 253.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68792381 is sourced from PubChem (CID 68792381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).