CID 11296321

C23H45O5Si2 — CID 11296321

IUPAC—
SMILESC[C@H](C[C@@H]([CH][CH][CH]C(=O)CCO[Si](C)(C)C(C)(C)C)OC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H45O5Si2/c1-19(28-30(10,11)23(5,6)7)17-21(26-18-24)14-12-13-20(25)15-16-27-29(8,9)22(2,3)4/h12-14,18-19,21H,15-17H2,1-11H3/t19-,21-/m1/s1
InChIKeyOMBMUHJNWUIUME-TZIWHRDSSA-N
MW457.78 g/mol
LogP5.92
Rot. Bonds14

About CID 11296321

CID 11296321 (PubChem CID 11296321) has the molecular formula C23H45O5Si2 and a molecular weight of 457.78 g/mol.

Molecular Properties

Compound NameCID 11296321
PubChem CID11296321
Molecular FormulaC23H45O5Si2
Molecular Weight457.78 g/mol
Exact Mass457.28
IUPAC Name—
SMILESC[C@H](C[C@@H]([CH][CH][CH]C(=O)CCO[Si](C)(C)C(C)(C)C)OC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H45O5Si2/c1-19(28-30(10,11)23(5,6)7)17-21(26-18-24)14-12-13-20(25)15-16-27-29(8,9)22(2,3)4/h12-14,18-19,21H,15-17H2,1-11H3/t19-,21-/m1/s1
InChIKeyOMBMUHJNWUIUME-TZIWHRDSSA-N
XLogP5.92
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.78
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11296321?
The IUPAC name of CID 11296321 (CID 11296321) is not available.
What is the SMILES notation for CID 11296321?
The canonical SMILES for CID 11296321 is C[C@H](C[C@@H]([CH][CH][CH]C(=O)CCO[Si](C)(C)C(C)(C)C)OC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of CID 11296321?
The InChIKey is OMBMUHJNWUIUME-TZIWHRDSSA-N. The full InChI is InChI=1S/C23H45O5Si2/c1-19(28-30(10,11)23(5,6)7)17-21(26-18-24)14-12-13-20(25)15-16-27-29(8,9)22(2,3)4/h12-14,18-19,21H,15-17H2,1-11H3/t19-,21-/m1/s1.
What are the key properties of CID 11296321?
CID 11296321 has a molecular weight of 457.78 g/mol, XLogP of 5.92, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11296321 is sourced from PubChem (CID 11296321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).