CID 90259759

C24H23O2Si — CID 90259759

IUPAC—
SMILESCCO[Si](OCC)c1ccccc1-c1cccc2c1ccc1ccccc12
InChIInChI=1S/C24H23O2Si/c1-3-25-27(26-4-2)24-15-8-7-12-23(24)21-14-9-13-20-19-11-6-5-10-18(19)16-17-22(20)21/h5-17H,3-4H2,1-2H3
InChIKeyHMPAQLDHXRFFOO-UHFFFAOYSA-N
MW371.53 g/mol
LogP5.43
Rot. Bonds6

About CID 90259759

CID 90259759 (PubChem CID 90259759) has the molecular formula C24H23O2Si and a molecular weight of 371.53 g/mol.

Molecular Properties

Compound NameCID 90259759
PubChem CID90259759
Molecular FormulaC24H23O2Si
Molecular Weight371.53 g/mol
Exact Mass371.15
IUPAC Name—
SMILESCCO[Si](OCC)c1ccccc1-c1cccc2c1ccc1ccccc12
InChIInChI=1S/C24H23O2Si/c1-3-25-27(26-4-2)24-15-8-7-12-23(24)21-14-9-13-20-19-11-6-5-10-18(19)16-17-22(20)21/h5-17H,3-4H2,1-2H3
InChIKeyHMPAQLDHXRFFOO-UHFFFAOYSA-N
XLogP5.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.53
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyrene
CID 31423
BENZ(a)ANTHRACENE
CID 5954
Chrysene
CID 9171
7,12-Dimethylbenz(a)anthracene
CID 6001
1-Methylpyrene
CID 16932
Naphthacene
CID 7080
5-Methylchrysene
CID 19427
Triphenylene
CID 9170
8-Methylbenz(a)anthracene
CID 16933
12-Methylbenz(a)anthracene
CID 17026
7-Methylbenz(a)anthracene
CID 17347
6-Methylchrysene
CID 15564

Frequently Asked Questions

What is the IUPAC name of CID 90259759?
The IUPAC name of CID 90259759 (CID 90259759) is not available.
What is the SMILES notation for CID 90259759?
The canonical SMILES for CID 90259759 is CCO[Si](OCC)c1ccccc1-c1cccc2c1ccc1ccccc12.
What is the InChIKey of CID 90259759?
The InChIKey is HMPAQLDHXRFFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23O2Si/c1-3-25-27(26-4-2)24-15-8-7-12-23(24)21-14-9-13-20-19-11-6-5-10-18(19)16-17-22(20)21/h5-17H,3-4H2,1-2H3.
What are the key properties of CID 90259759?
CID 90259759 has a molecular weight of 371.53 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90259759 is sourced from PubChem (CID 90259759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).