CID 177243868

C29H59O4Si — CID 177243868

IUPAC—
SMILESCCCCCCCCOC(CCCCO[Si])(OCCCCCCCC)OCCCCCCCC
InChIInChI=1S/C29H59O4Si/c1-4-7-10-13-16-20-25-30-29(24-19-23-28-33-34,31-26-21-17-14-11-8-5-2)32-27-22-18-15-12-9-6-3/h4-28H2,1-3H3
InChIKeyWIOZEQONVHVFIH-UHFFFAOYSA-N
MW499.87 g/mol
LogP9.04
Rot. Bonds29

About CID 177243868

CID 177243868 (PubChem CID 177243868) has the molecular formula C29H59O4Si and a molecular weight of 499.87 g/mol.

Molecular Properties

Compound NameCID 177243868
PubChem CID177243868
Molecular FormulaC29H59O4Si
Molecular Weight499.87 g/mol
Exact Mass499.42
IUPAC Name—
SMILESCCCCCCCCOC(CCCCO[Si])(OCCCCCCCC)OCCCCCCCC
InChIInChI=1S/C29H59O4Si/c1-4-7-10-13-16-20-25-30-29(24-19-23-28-33-34,31-26-21-17-14-11-8-5-2)32-27-22-18-15-12-9-6-3/h4-28H2,1-3H3
InChIKeyWIOZEQONVHVFIH-UHFFFAOYSA-N
XLogP9.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds29
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.87
LogP ≤ 59.04
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 177243873
CID 177243873
1-heptoxy-1-hexoxy-9-octylperoxy-1-pentoxynonane
CID 141003056
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CID 11819822
1,1,1-tributoxy-10-propoxydecane
CID 150583223
9-heptoxy-9-methylhenicosane
CID 91127088
ruthenium;1,1,1-triethoxydecane
CID 157324278
10-decoxy-10-nonylnonadecane
CID 150430521
2-dodecoxy-2-methyltetradecane
CID 158074564
4,4-dipentoxytridecane
CID 150402661
1-decoxydecane-1,1-diamine
CID 87410137
16-ethyl-16-(10-fluorodecoxy)hentriacontane
CID 139725302
16-(10-fluorodecoxy)-16-methylhentriacontane
CID 139714709

Frequently Asked Questions

What is the IUPAC name of CID 177243868?
The IUPAC name of CID 177243868 (CID 177243868) is not available.
What is the SMILES notation for CID 177243868?
The canonical SMILES for CID 177243868 is CCCCCCCCOC(CCCCO[Si])(OCCCCCCCC)OCCCCCCCC.
What is the InChIKey of CID 177243868?
The InChIKey is WIOZEQONVHVFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H59O4Si/c1-4-7-10-13-16-20-25-30-29(24-19-23-28-33-34,31-26-21-17-14-11-8-5-2)32-27-22-18-15-12-9-6-3/h4-28H2,1-3H3.
What are the key properties of CID 177243868?
CID 177243868 has a molecular weight of 499.87 g/mol, XLogP of 9.04, 29 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177243868 is sourced from PubChem (CID 177243868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).