CID 21267009

C25H41O2Si — CID 21267009

IUPAC—
SMILESCCCCCCCCCCCCCCCCC(C(=O)O[Si])c1ccccc1C
InChIInChI=1S/C25H41O2Si/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(25(26)27-28)23-20-18-17-19-22(23)2/h17-20,24H,3-16,21H2,1-2H3
InChIKeyHBMKKFNXNBRQCW-UHFFFAOYSA-N
MW401.69 g/mol
LogP7.58
Rot. Bonds17

About CID 21267009

CID 21267009 (PubChem CID 21267009) has the molecular formula C25H41O2Si and a molecular weight of 401.69 g/mol.

Molecular Properties

Compound NameCID 21267009
PubChem CID21267009
Molecular FormulaC25H41O2Si
Molecular Weight401.69 g/mol
Exact Mass401.29
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCC(C(=O)O[Si])c1ccccc1C
InChIInChI=1S/C25H41O2Si/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(25(26)27-28)23-20-18-17-19-22(23)2/h17-20,24H,3-16,21H2,1-2H3
InChIKeyHBMKKFNXNBRQCW-UHFFFAOYSA-N
XLogP7.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.69
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 21267009?
The IUPAC name of CID 21267009 (CID 21267009) is not available.
What is the SMILES notation for CID 21267009?
The canonical SMILES for CID 21267009 is CCCCCCCCCCCCCCCCC(C(=O)O[Si])c1ccccc1C.
What is the InChIKey of CID 21267009?
The InChIKey is HBMKKFNXNBRQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41O2Si/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(25(26)27-28)23-20-18-17-19-22(23)2/h17-20,24H,3-16,21H2,1-2H3.
What are the key properties of CID 21267009?
CID 21267009 has a molecular weight of 401.69 g/mol, XLogP of 7.58, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21267009 is sourced from PubChem (CID 21267009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).