CID 68585978

C56H84O5Si2 — CID 68585978

IUPAC—
SMILESCCCCCC(C)(C)Oc1cccc([Si](O[Si](c2cccc(OC(C)(C)CCCCC)c2)c2cccc(OC(C)(C)CCCCC)c2)c2cccc(OC(C)(C)CCCCC)c2)c1
InChIInChI=1S/C56H84O5Si2/c1-13-17-21-37-53(5,6)57-45-29-25-33-49(41-45)62(50-34-26-30-46(42-50)58-54(7,8)38-22-18-14-2)61-63(51-35-27-31-47(43-51)59-55(9,10)39-23-19-15-3)52-36-28-32-48(44-52)60-56(11,12)40-24-20-16-4/h25-36,41-44H,13-24,37-40H2,1-12H3
InChIKeyQRBPCQSDBSMRMJ-UHFFFAOYSA-N
MW893.46 g/mol
LogP13.57
Rot. Bonds30

About CID 68585978

CID 68585978 (PubChem CID 68585978) has the molecular formula C56H84O5Si2 and a molecular weight of 893.46 g/mol.

Molecular Properties

Compound NameCID 68585978
PubChem CID68585978
Molecular FormulaC56H84O5Si2
Molecular Weight893.46 g/mol
Exact Mass892.59
IUPAC Name—
SMILESCCCCCC(C)(C)Oc1cccc([Si](O[Si](c2cccc(OC(C)(C)CCCCC)c2)c2cccc(OC(C)(C)CCCCC)c2)c2cccc(OC(C)(C)CCCCC)c2)c1
InChIInChI=1S/C56H84O5Si2/c1-13-17-21-37-53(5,6)57-45-29-25-33-49(41-45)62(50-34-26-30-46(42-50)58-54(7,8)38-22-18-14-2)61-63(51-35-27-31-47(43-51)59-55(9,10)39-23-19-15-3)52-36-28-32-48(44-52)60-56(11,12)40-24-20-16-4/h25-36,41-44H,13-24,37-40H2,1-12H3
InChIKeyQRBPCQSDBSMRMJ-UHFFFAOYSA-N
XLogP13.57
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds30
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.46
LogP ≤ 513.57
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 68585978?
The IUPAC name of CID 68585978 (CID 68585978) is not available.
What is the SMILES notation for CID 68585978?
The canonical SMILES for CID 68585978 is CCCCCC(C)(C)Oc1cccc([Si](O[Si](c2cccc(OC(C)(C)CCCCC)c2)c2cccc(OC(C)(C)CCCCC)c2)c2cccc(OC(C)(C)CCCCC)c2)c1.
What is the InChIKey of CID 68585978?
The InChIKey is QRBPCQSDBSMRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H84O5Si2/c1-13-17-21-37-53(5,6)57-45-29-25-33-49(41-45)62(50-34-26-30-46(42-50)58-54(7,8)38-22-18-14-2)61-63(51-35-27-31-47(43-51)59-55(9,10)39-23-19-15-3)52-36-28-32-48(44-52)60-56(11,12)40-24-20-16-4/h25-36,41-44H,13-24,37-40H2,1-12H3.
What are the key properties of CID 68585978?
CID 68585978 has a molecular weight of 893.46 g/mol, XLogP of 13.57, 30 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68585978 is sourced from PubChem (CID 68585978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).