CID 59483014

C24H31O2SiU- — CID 59483014

IUPAC—
SMILESCC1C2[CH-]OC1(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC2.[U]
InChIInChI=1S/C24H31O2Si.U/c1-19-20-15-16-24(19,25-17-20)18-26-27(23(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22;/h5-14,17,19-20H,15-16,18H2,1-4H3;/q-1;
InChIKeyMFLANZUOCFRKRG-UHFFFAOYSA-N
MW617.63 g/mol
LogP4.54
Rot. Bonds5

About CID 59483014

CID 59483014 (PubChem CID 59483014) has the molecular formula C24H31O2SiU- and a molecular weight of 617.63 g/mol.

Molecular Properties

Compound NameCID 59483014
PubChem CID59483014
Molecular FormulaC24H31O2SiU-
Molecular Weight617.63 g/mol
Exact Mass617.26
IUPAC Name—
SMILESCC1C2[CH-]OC1(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC2.[U]
InChIInChI=1S/C24H31O2Si.U/c1-19-20-15-16-24(19,25-17-20)18-26-27(23(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22;/h5-14,17,19-20H,15-16,18H2,1-4H3;/q-1;
InChIKeyMFLANZUOCFRKRG-UHFFFAOYSA-N
XLogP4.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.63
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 59483014?
The IUPAC name of CID 59483014 (CID 59483014) is not available.
What is the SMILES notation for CID 59483014?
The canonical SMILES for CID 59483014 is CC1C2[CH-]OC1(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC2.[U].
What is the InChIKey of CID 59483014?
The InChIKey is MFLANZUOCFRKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31O2Si.U/c1-19-20-15-16-24(19,25-17-20)18-26-27(23(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22;/h5-14,17,19-20H,15-16,18H2,1-4H3;/q-1;.
What are the key properties of CID 59483014?
CID 59483014 has a molecular weight of 617.63 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59483014 is sourced from PubChem (CID 59483014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).