CID 66846053

C28H44NO6Si — CID 66846053

IUPAC—
SMILESCC(C)(C)C(COCCOCCOCCOCCOCCN)O[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C28H44NO6Si/c1-28(2,3)27(35-36(25-10-6-4-7-11-25)26-12-8-5-9-13-26)24-34-23-22-33-21-20-32-19-18-31-17-16-30-15-14-29/h4-13,27H,14-24,29H2,1-3H3
InChIKeyVPPZEPJCMNXXKG-UHFFFAOYSA-N
MW518.75 g/mol
LogP2.27
Rot. Bonds20

About CID 66846053

CID 66846053 (PubChem CID 66846053) has the molecular formula C28H44NO6Si and a molecular weight of 518.75 g/mol.

Molecular Properties

Compound NameCID 66846053
PubChem CID66846053
Molecular FormulaC28H44NO6Si
Molecular Weight518.75 g/mol
Exact Mass518.29
IUPAC Name—
SMILESCC(C)(C)C(COCCOCCOCCOCCOCCN)O[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C28H44NO6Si/c1-28(2,3)27(35-36(25-10-6-4-7-11-25)26-12-8-5-9-13-26)24-34-23-22-33-21-20-32-19-18-31-17-16-30-15-14-29/h4-13,27H,14-24,29H2,1-3H3
InChIKeyVPPZEPJCMNXXKG-UHFFFAOYSA-N
XLogP2.27
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.75
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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2,2-Dimethyl-3,3-diphenyl-4,7,10,13,16,19-hexaoxa-3-silahenicosan-21-amine
CID 66846054
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CID 69544214
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Frequently Asked Questions

What is the IUPAC name of CID 66846053?
The IUPAC name of CID 66846053 (CID 66846053) is not available.
What is the SMILES notation for CID 66846053?
The canonical SMILES for CID 66846053 is CC(C)(C)C(COCCOCCOCCOCCOCCN)O[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of CID 66846053?
The InChIKey is VPPZEPJCMNXXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44NO6Si/c1-28(2,3)27(35-36(25-10-6-4-7-11-25)26-12-8-5-9-13-26)24-34-23-22-33-21-20-32-19-18-31-17-16-30-15-14-29/h4-13,27H,14-24,29H2,1-3H3.
What are the key properties of CID 66846053?
CID 66846053 has a molecular weight of 518.75 g/mol, XLogP of 2.27, 20 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66846053 is sourced from PubChem (CID 66846053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).