CID 69305481

C27H30O2Si — CID 69305481

IUPAC—
SMILESCCOCC1(CO[Si]C(C)(C)Cc2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C27H30O2Si/c1-4-28-19-27(20-29-30-26(2,3)18-21-12-6-5-7-13-21)24-16-10-8-14-22(24)23-15-9-11-17-25(23)27/h5-17H,4,18-20H2,1-3H3
InChIKeyFEQJRAXJQUSIHQ-UHFFFAOYSA-N
MW414.62 g/mol
LogP6.07
Rot. Bonds9

About CID 69305481

CID 69305481 (PubChem CID 69305481) has the molecular formula C27H30O2Si and a molecular weight of 414.62 g/mol.

Molecular Properties

Compound NameCID 69305481
PubChem CID69305481
Molecular FormulaC27H30O2Si
Molecular Weight414.62 g/mol
Exact Mass414.20
IUPAC Name—
SMILESCCOCC1(CO[Si]C(C)(C)Cc2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C27H30O2Si/c1-4-28-19-27(20-29-30-26(2,3)18-21-12-6-5-7-13-21)24-16-10-8-14-22(24)23-15-9-11-17-25(23)27/h5-17H,4,18-20H2,1-3H3
InChIKeyFEQJRAXJQUSIHQ-UHFFFAOYSA-N
XLogP6.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.62
LogP ≤ 56.07
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 69305481?
The IUPAC name of CID 69305481 (CID 69305481) is not available.
What is the SMILES notation for CID 69305481?
The canonical SMILES for CID 69305481 is CCOCC1(CO[Si]C(C)(C)Cc2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of CID 69305481?
The InChIKey is FEQJRAXJQUSIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O2Si/c1-4-28-19-27(20-29-30-26(2,3)18-21-12-6-5-7-13-21)24-16-10-8-14-22(24)23-15-9-11-17-25(23)27/h5-17H,4,18-20H2,1-3H3.
What are the key properties of CID 69305481?
CID 69305481 has a molecular weight of 414.62 g/mol, XLogP of 6.07, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69305481 is sourced from PubChem (CID 69305481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).