CID 150296044

C29H43O4Si — CID 150296044

IUPAC—
SMILESCCCCCCCCCCOc1ccc(C(=O)O)c(-c2ccccc2)c1OCCCC[Si](C)C
InChIInChI=1S/C29H43O4Si/c1-4-5-6-7-8-9-10-14-21-32-26-20-19-25(29(30)31)27(24-17-12-11-13-18-24)28(26)33-22-15-16-23-34(2)3/h11-13,17-20H,4-10,14-16,21-23H2,1-3H3,(H,30,31)
InChIKeyVGOOKLGCUAOABY-UHFFFAOYSA-N
MW483.75 g/mol
LogP8.48
Rot. Bonds18

About CID 150296044

CID 150296044 (PubChem CID 150296044) has the molecular formula C29H43O4Si and a molecular weight of 483.75 g/mol.

Molecular Properties

Compound NameCID 150296044
PubChem CID150296044
Molecular FormulaC29H43O4Si
Molecular Weight483.75 g/mol
Exact Mass483.29
IUPAC Name—
SMILESCCCCCCCCCCOc1ccc(C(=O)O)c(-c2ccccc2)c1OCCCC[Si](C)C
InChIInChI=1S/C29H43O4Si/c1-4-5-6-7-8-9-10-14-21-32-26-20-19-25(29(30)31)27(24-17-12-11-13-18-24)28(26)33-22-15-16-23-34(2)3/h11-13,17-20H,4-10,14-16,21-23H2,1-3H3,(H,30,31)
InChIKeyVGOOKLGCUAOABY-UHFFFAOYSA-N
XLogP8.48
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.75
LogP ≤ 58.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 150296044?
The IUPAC name of CID 150296044 (CID 150296044) is not available.
What is the SMILES notation for CID 150296044?
The canonical SMILES for CID 150296044 is CCCCCCCCCCOc1ccc(C(=O)O)c(-c2ccccc2)c1OCCCC[Si](C)C.
What is the InChIKey of CID 150296044?
The InChIKey is VGOOKLGCUAOABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43O4Si/c1-4-5-6-7-8-9-10-14-21-32-26-20-19-25(29(30)31)27(24-17-12-11-13-18-24)28(26)33-22-15-16-23-34(2)3/h11-13,17-20H,4-10,14-16,21-23H2,1-3H3,(H,30,31).
What are the key properties of CID 150296044?
CID 150296044 has a molecular weight of 483.75 g/mol, XLogP of 8.48, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 150296044 is sourced from PubChem (CID 150296044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).