CID 68586538

C40H52O5Si2 — CID 68586538

IUPAC—
SMILESCCCCOc1cccc([Si](O[Si](c2cccc(OCCCC)c2)c2cccc(OCCCC)c2)c2cccc(OCCCC)c2)c1
InChIInChI=1S/C40H52O5Si2/c1-5-9-25-41-33-17-13-21-37(29-33)46(38-22-14-18-34(30-38)42-26-10-6-2)45-47(39-23-15-19-35(31-39)43-27-11-7-3)40-24-16-20-36(32-40)44-28-12-8-4/h13-24,29-32H,5-12,25-28H2,1-4H3
InChIKeyQIFWFFVZGNKLMM-UHFFFAOYSA-N
MW669.02 g/mol
LogP7.33
Rot. Bonds22

About CID 68586538

CID 68586538 (PubChem CID 68586538) has the molecular formula C40H52O5Si2 and a molecular weight of 669.02 g/mol.

Molecular Properties

Compound NameCID 68586538
PubChem CID68586538
Molecular FormulaC40H52O5Si2
Molecular Weight669.02 g/mol
Exact Mass668.34
IUPAC Name—
SMILESCCCCOc1cccc([Si](O[Si](c2cccc(OCCCC)c2)c2cccc(OCCCC)c2)c2cccc(OCCCC)c2)c1
InChIInChI=1S/C40H52O5Si2/c1-5-9-25-41-33-17-13-21-37(29-33)46(38-22-14-18-34(30-38)42-26-10-6-2)45-47(39-23-15-19-35(31-39)43-27-11-7-3)40-24-16-20-36(32-40)44-28-12-8-4/h13-24,29-32H,5-12,25-28H2,1-4H3
InChIKeyQIFWFFVZGNKLMM-UHFFFAOYSA-N
XLogP7.33
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.02
LogP ≤ 57.33
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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Related Compounds

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1-hexadecoxy-3-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of CID 68586538?
The IUPAC name of CID 68586538 (CID 68586538) is not available.
What is the SMILES notation for CID 68586538?
The canonical SMILES for CID 68586538 is CCCCOc1cccc([Si](O[Si](c2cccc(OCCCC)c2)c2cccc(OCCCC)c2)c2cccc(OCCCC)c2)c1.
What is the InChIKey of CID 68586538?
The InChIKey is QIFWFFVZGNKLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H52O5Si2/c1-5-9-25-41-33-17-13-21-37(29-33)46(38-22-14-18-34(30-38)42-26-10-6-2)45-47(39-23-15-19-35(31-39)43-27-11-7-3)40-24-16-20-36(32-40)44-28-12-8-4/h13-24,29-32H,5-12,25-28H2,1-4H3.
What are the key properties of CID 68586538?
CID 68586538 has a molecular weight of 669.02 g/mol, XLogP of 7.33, 22 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68586538 is sourced from PubChem (CID 68586538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).