CID 177243873

C24H49O4Si — CID 177243873

IUPAC—
SMILESCCCCCCCOC(CCO[Si])(OCCCCCCC)OCCCCCCC
InChIInChI=1S/C24H49O4Si/c1-4-7-10-13-16-20-25-24(19-23-28-29,26-21-17-14-11-8-5-2)27-22-18-15-12-9-6-3/h4-23H2,1-3H3
InChIKeyUZJNXPDDYPGTLB-UHFFFAOYSA-N
MW429.74 g/mol
LogP7.09
Rot. Bonds24

About CID 177243873

CID 177243873 (PubChem CID 177243873) has the molecular formula C24H49O4Si and a molecular weight of 429.74 g/mol.

Molecular Properties

Compound NameCID 177243873
PubChem CID177243873
Molecular FormulaC24H49O4Si
Molecular Weight429.74 g/mol
Exact Mass429.34
IUPAC Name—
SMILESCCCCCCCOC(CCO[Si])(OCCCCCCC)OCCCCCCC
InChIInChI=1S/C24H49O4Si/c1-4-7-10-13-16-20-25-24(19-23-28-29,26-21-17-14-11-8-5-2)27-22-18-15-12-9-6-3/h4-23H2,1-3H3
InChIKeyUZJNXPDDYPGTLB-UHFFFAOYSA-N
XLogP7.09
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.74
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 177243868
CID 177243868
1-heptoxy-1-hexoxy-9-octylperoxy-1-pentoxynonane
CID 141003056
CID 11819822
CID 11819822
9-heptoxy-9-methylhenicosane
CID 91127088
1,1,1-tributoxy-10-propoxydecane
CID 150583223
10-decoxy-10-nonylnonadecane
CID 150430521
2-dodecoxy-2-methyltetradecane
CID 158074564
azane;2-dodecoxypropan-2-ol
CID 87960511
ruthenium;1,1,1-triethoxydecane
CID 157324278
1-(trichloromethoxy)hexane
CID 87956638
4,4-dipentoxytridecane
CID 150402661
1-decoxydecane-1,1-diamine
CID 87410137

Frequently Asked Questions

What is the IUPAC name of CID 177243873?
The IUPAC name of CID 177243873 (CID 177243873) is not available.
What is the SMILES notation for CID 177243873?
The canonical SMILES for CID 177243873 is CCCCCCCOC(CCO[Si])(OCCCCCCC)OCCCCCCC.
What is the InChIKey of CID 177243873?
The InChIKey is UZJNXPDDYPGTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49O4Si/c1-4-7-10-13-16-20-25-24(19-23-28-29,26-21-17-14-11-8-5-2)27-22-18-15-12-9-6-3/h4-23H2,1-3H3.
What are the key properties of CID 177243873?
CID 177243873 has a molecular weight of 429.74 g/mol, XLogP of 7.09, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177243873 is sourced from PubChem (CID 177243873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).