CID 69305505

C25H33FO2Si2 — CID 69305505

IUPAC—
SMILESCCC(C)(C)[Si]OCC1(CO[Si]C(C)(C)CC)c2ccccc2-c2ccc(F)cc21
InChIInChI=1S/C25H33FO2Si2/c1-7-23(3,4)29-27-16-25(17-28-30-24(5,6)8-2)21-12-10-9-11-19(21)20-14-13-18(26)15-22(20)25/h9-15H,7-8,16-17H2,1-6H3
InChIKeyPRLMVHHROCKBMG-UHFFFAOYSA-N
MW440.71 g/mol
LogP6.58
Rot. Bonds10

About CID 69305505

CID 69305505 (PubChem CID 69305505) has the molecular formula C25H33FO2Si2 and a molecular weight of 440.71 g/mol.

Molecular Properties

Compound NameCID 69305505
PubChem CID69305505
Molecular FormulaC25H33FO2Si2
Molecular Weight440.71 g/mol
Exact Mass440.20
IUPAC Name—
SMILESCCC(C)(C)[Si]OCC1(CO[Si]C(C)(C)CC)c2ccccc2-c2ccc(F)cc21
InChIInChI=1S/C25H33FO2Si2/c1-7-23(3,4)29-27-16-25(17-28-30-24(5,6)8-2)21-12-10-9-11-19(21)20-14-13-18(26)15-22(20)25/h9-15H,7-8,16-17H2,1-6H3
InChIKeyPRLMVHHROCKBMG-UHFFFAOYSA-N
XLogP6.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.71
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 69305505?
The IUPAC name of CID 69305505 (CID 69305505) is not available.
What is the SMILES notation for CID 69305505?
The canonical SMILES for CID 69305505 is CCC(C)(C)[Si]OCC1(CO[Si]C(C)(C)CC)c2ccccc2-c2ccc(F)cc21.
What is the InChIKey of CID 69305505?
The InChIKey is PRLMVHHROCKBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FO2Si2/c1-7-23(3,4)29-27-16-25(17-28-30-24(5,6)8-2)21-12-10-9-11-19(21)20-14-13-18(26)15-22(20)25/h9-15H,7-8,16-17H2,1-6H3.
What are the key properties of CID 69305505?
CID 69305505 has a molecular weight of 440.71 g/mol, XLogP of 6.58, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69305505 is sourced from PubChem (CID 69305505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).