CID 174877287

C22H24O3Si4 — CID 174877287

IUPAC—
SMILESCC1(C)CCc2c(ccc3c2ccc2ccccc23)C1(C)C.[Si]O[Si]O[Si]O[Si]
InChIInChI=1S/C22H24.O3Si4/c1-21(2)14-13-19-18-10-9-15-7-5-6-8-16(15)17(18)11-12-20(19)22(21,3)4;4-1-6-3-7-2-5/h5-12H,13-14H2,1-4H3;
InChIKeyMGIXTEVUGZKNDB-UHFFFAOYSA-N
MW448.78 g/mol
LogP4.51
Rot. Bonds4

About CID 174877287

CID 174877287 (PubChem CID 174877287) has the molecular formula C22H24O3Si4 and a molecular weight of 448.78 g/mol.

Molecular Properties

Compound NameCID 174877287
PubChem CID174877287
Molecular FormulaC22H24O3Si4
Molecular Weight448.78 g/mol
Exact Mass448.08
IUPAC Name—
SMILESCC1(C)CCc2c(ccc3c2ccc2ccccc23)C1(C)C.[Si]O[Si]O[Si]O[Si]
InChIInChI=1S/C22H24.O3Si4/c1-21(2)14-13-19-18-10-9-15-7-5-6-8-16(15)17(18)11-12-20(19)22(21,3)4;4-1-6-3-7-2-5/h5-12H,13-14H2,1-4H3;
InChIKeyMGIXTEVUGZKNDB-UHFFFAOYSA-N
XLogP4.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.78
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 174877287?
The IUPAC name of CID 174877287 (CID 174877287) is not available.
What is the SMILES notation for CID 174877287?
The canonical SMILES for CID 174877287 is CC1(C)CCc2c(ccc3c2ccc2ccccc23)C1(C)C.[Si]O[Si]O[Si]O[Si].
What is the InChIKey of CID 174877287?
The InChIKey is MGIXTEVUGZKNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24.O3Si4/c1-21(2)14-13-19-18-10-9-15-7-5-6-8-16(15)17(18)11-12-20(19)22(21,3)4;4-1-6-3-7-2-5/h5-12H,13-14H2,1-4H3;.
What are the key properties of CID 174877287?
CID 174877287 has a molecular weight of 448.78 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174877287 is sourced from PubChem (CID 174877287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).