CID 88871663

C23H51BO4Si3 — CID 88871663

IUPAC—
SMILES[B][C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H51BO4Si3/c1-21(2,3)29(10,11)25-16-17-18(27-30(12,13)22(4,5)6)19(20(24)26-17)28-31(14,15)23(7,8)9/h17-20H,16H2,1-15H3/t17-,18+,19?,20-/m1/s1
InChIKeyMFMZESPIOJRNDT-JIRNRHONSA-N
MW486.73 g/mol
LogP6.68
Rot. Bonds7

About CID 88871663

CID 88871663 (PubChem CID 88871663) has the molecular formula C23H51BO4Si3 and a molecular weight of 486.73 g/mol.

Molecular Properties

Compound NameCID 88871663
PubChem CID88871663
Molecular FormulaC23H51BO4Si3
Molecular Weight486.73 g/mol
Exact Mass486.32
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H51BO4Si3/c1-21(2,3)29(10,11)25-16-17-18(27-30(12,13)22(4,5)6)19(20(24)26-17)28-31(14,15)23(7,8)9/h17-20H,16H2,1-15H3/t17-,18+,19?,20-/m1/s1
InChIKeyMFMZESPIOJRNDT-JIRNRHONSA-N
XLogP6.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.73
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 88871663?
The IUPAC name of CID 88871663 (CID 88871663) is not available.
What is the SMILES notation for CID 88871663?
The canonical SMILES for CID 88871663 is [B][C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of CID 88871663?
The InChIKey is MFMZESPIOJRNDT-JIRNRHONSA-N. The full InChI is InChI=1S/C23H51BO4Si3/c1-21(2,3)29(10,11)25-16-17-18(27-30(12,13)22(4,5)6)19(20(24)26-17)28-31(14,15)23(7,8)9/h17-20H,16H2,1-15H3/t17-,18+,19?,20-/m1/s1.
What are the key properties of CID 88871663?
CID 88871663 has a molecular weight of 486.73 g/mol, XLogP of 6.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88871663 is sourced from PubChem (CID 88871663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).