CID 156682483

C26H65O9Si9 — CID 156682483

IUPAC—
SMILESC=C[Si](C)CO[Si](C)(C)CC[Si]1(C)O[Si](C)(C)O[Si](C)(CC[Si](OC)(OC)OC)O[Si](C)(CC[Si](C)(C)O[Si](C)(C)C=C)O1
InChIInChI=1S/C26H65O9Si9/c1-18-36(6)26-30-38(9,10)20-22-41(15)32-40(13,14)33-42(16,24-25-44(27-3,28-4)29-5)35-43(17,34-41)23-21-39(11,12)31-37(7,8)19-2/h18-19H,1-2,20-26H2,3-17H3
InChIKeyHBFADLXBHREMSQ-UHFFFAOYSA-N
MW774.57 g/mol
LogP7.62
Rot. Bonds19

About CID 156682483

CID 156682483 (PubChem CID 156682483) has the molecular formula C26H65O9Si9 and a molecular weight of 774.57 g/mol.

Molecular Properties

Compound NameCID 156682483
PubChem CID156682483
Molecular FormulaC26H65O9Si9
Molecular Weight774.57 g/mol
Exact Mass773.26
IUPAC Name—
SMILESC=C[Si](C)CO[Si](C)(C)CC[Si]1(C)O[Si](C)(C)O[Si](C)(CC[Si](OC)(OC)OC)O[Si](C)(CC[Si](C)(C)O[Si](C)(C)C=C)O1
InChIInChI=1S/C26H65O9Si9/c1-18-36(6)26-30-38(9,10)20-22-41(15)32-40(13,14)33-42(16,24-25-44(27-3,28-4)29-5)35-43(17,34-41)23-21-39(11,12)31-37(7,8)19-2/h18-19H,1-2,20-26H2,3-17H3
InChIKeyHBFADLXBHREMSQ-UHFFFAOYSA-N
XLogP7.62
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.57
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 156682483?
The IUPAC name of CID 156682483 (CID 156682483) is not available.
What is the SMILES notation for CID 156682483?
The canonical SMILES for CID 156682483 is C=C[Si](C)CO[Si](C)(C)CC[Si]1(C)O[Si](C)(C)O[Si](C)(CC[Si](OC)(OC)OC)O[Si](C)(CC[Si](C)(C)O[Si](C)(C)C=C)O1.
What is the InChIKey of CID 156682483?
The InChIKey is HBFADLXBHREMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H65O9Si9/c1-18-36(6)26-30-38(9,10)20-22-41(15)32-40(13,14)33-42(16,24-25-44(27-3,28-4)29-5)35-43(17,34-41)23-21-39(11,12)31-37(7,8)19-2/h18-19H,1-2,20-26H2,3-17H3.
What are the key properties of CID 156682483?
CID 156682483 has a molecular weight of 774.57 g/mol, XLogP of 7.62, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156682483 is sourced from PubChem (CID 156682483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).