CID 156858568

C24H31O2Si — CID 156858568

IUPAC—
SMILESCC(C)(C)c1ccc([Si](OCC2CCC(C=O)CC2)c2ccccc2)cc1
InChIInChI=1S/C24H31O2Si/c1-24(2,3)21-13-15-23(16-14-21)27(22-7-5-4-6-8-22)26-18-20-11-9-19(17-25)10-12-20/h4-8,13-17,19-20H,9-12,18H2,1-3H3
InChIKeySZAAGAWVNVWSOX-UHFFFAOYSA-N
MW379.60 g/mol
LogP4.11
Rot. Bonds6

About CID 156858568

CID 156858568 (PubChem CID 156858568) has the molecular formula C24H31O2Si and a molecular weight of 379.60 g/mol.

Molecular Properties

Compound NameCID 156858568
PubChem CID156858568
Molecular FormulaC24H31O2Si
Molecular Weight379.60 g/mol
Exact Mass379.21
IUPAC Name—
SMILESCC(C)(C)c1ccc([Si](OCC2CCC(C=O)CC2)c2ccccc2)cc1
InChIInChI=1S/C24H31O2Si/c1-24(2,3)21-13-15-23(16-14-21)27(22-7-5-4-6-8-22)26-18-20-11-9-19(17-25)10-12-20/h4-8,13-17,19-20H,9-12,18H2,1-3H3
InChIKeySZAAGAWVNVWSOX-UHFFFAOYSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.60
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 156858568?
The IUPAC name of CID 156858568 (CID 156858568) is not available.
What is the SMILES notation for CID 156858568?
The canonical SMILES for CID 156858568 is CC(C)(C)c1ccc([Si](OCC2CCC(C=O)CC2)c2ccccc2)cc1.
What is the InChIKey of CID 156858568?
The InChIKey is SZAAGAWVNVWSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31O2Si/c1-24(2,3)21-13-15-23(16-14-21)27(22-7-5-4-6-8-22)26-18-20-11-9-19(17-25)10-12-20/h4-8,13-17,19-20H,9-12,18H2,1-3H3.
What are the key properties of CID 156858568?
CID 156858568 has a molecular weight of 379.60 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156858568 is sourced from PubChem (CID 156858568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).