CID 68585929

C48H68O5Si2 — CID 68585929

IUPAC—
SMILESCCCCOc1cccc([Si](O[Si](c2cccc(OCCCC)c2CC)c2cccc(OCCCC)c2CC)c2cccc(OCCCC)c2CC)c1CC
InChIInChI=1S/C48H68O5Si2/c1-9-17-33-49-41-25-21-29-45(37(41)13-5)54(46-30-22-26-42(38(46)14-6)50-34-18-10-2)53-55(47-31-23-27-43(39(47)15-7)51-35-19-11-3)48-32-24-28-44(40(48)16-8)52-36-20-12-4/h21-32H,9-20,33-36H2,1-8H3
InChIKeyHENFEXWRRRBLON-UHFFFAOYSA-N
MW781.24 g/mol
LogP9.58
Rot. Bonds26

About CID 68585929

CID 68585929 (PubChem CID 68585929) has the molecular formula C48H68O5Si2 and a molecular weight of 781.24 g/mol.

Molecular Properties

Compound NameCID 68585929
PubChem CID68585929
Molecular FormulaC48H68O5Si2
Molecular Weight781.24 g/mol
Exact Mass780.46
IUPAC Name—
SMILESCCCCOc1cccc([Si](O[Si](c2cccc(OCCCC)c2CC)c2cccc(OCCCC)c2CC)c2cccc(OCCCC)c2CC)c1CC
InChIInChI=1S/C48H68O5Si2/c1-9-17-33-49-41-25-21-29-45(37(41)13-5)54(46-30-22-26-42(38(46)14-6)50-34-18-10-2)53-55(47-31-23-27-43(39(47)15-7)51-35-19-11-3)48-32-24-28-44(40(48)16-8)52-36-20-12-4/h21-32H,9-20,33-36H2,1-8H3
InChIKeyHENFEXWRRRBLON-UHFFFAOYSA-N
XLogP9.58
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.24
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 68585929?
The IUPAC name of CID 68585929 (CID 68585929) is not available.
What is the SMILES notation for CID 68585929?
The canonical SMILES for CID 68585929 is CCCCOc1cccc([Si](O[Si](c2cccc(OCCCC)c2CC)c2cccc(OCCCC)c2CC)c2cccc(OCCCC)c2CC)c1CC.
What is the InChIKey of CID 68585929?
The InChIKey is HENFEXWRRRBLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H68O5Si2/c1-9-17-33-49-41-25-21-29-45(37(41)13-5)54(46-30-22-26-42(38(46)14-6)50-34-18-10-2)53-55(47-31-23-27-43(39(47)15-7)51-35-19-11-3)48-32-24-28-44(40(48)16-8)52-36-20-12-4/h21-32H,9-20,33-36H2,1-8H3.
What are the key properties of CID 68585929?
CID 68585929 has a molecular weight of 781.24 g/mol, XLogP of 9.58, 26 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68585929 is sourced from PubChem (CID 68585929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).