CID 22827442

C25H47O3Si2 — CID 22827442

IUPAC—
SMILESC=C1C(=O)C[C@@H](O[Si](C)C(C)(C)C)[C@@H]1/C=C/[C@H](CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H47O3Si2/c1-12-13-14-15-20(28-30(10,11)25(6,7)8)16-17-21-19(2)22(26)18-23(21)27-29(9)24(3,4)5/h16-17,20-21,23H,2,12-15,18H2,1,3-11H3/b17-16+/t20-,21+,23+/m0/s1
InChIKeyBEHGWSMNDOMALR-SUJNERICSA-N
MW451.82 g/mol
LogP7.47
Rot. Bonds10

About CID 22827442

CID 22827442 (PubChem CID 22827442) has the molecular formula C25H47O3Si2 and a molecular weight of 451.82 g/mol.

Molecular Properties

Compound NameCID 22827442
PubChem CID22827442
Molecular FormulaC25H47O3Si2
Molecular Weight451.82 g/mol
Exact Mass451.31
IUPAC Name—
SMILESC=C1C(=O)C[C@@H](O[Si](C)C(C)(C)C)[C@@H]1/C=C/[C@H](CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H47O3Si2/c1-12-13-14-15-20(28-30(10,11)25(6,7)8)16-17-21-19(2)22(26)18-23(21)27-29(9)24(3,4)5/h16-17,20-21,23H,2,12-15,18H2,1,3-11H3/b17-16+/t20-,21+,23+/m0/s1
InChIKeyBEHGWSMNDOMALR-SUJNERICSA-N
XLogP7.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.82
LogP ≤ 57.47
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze CID 22827442 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 22827442?
The IUPAC name of CID 22827442 (CID 22827442) is not available.
What is the SMILES notation for CID 22827442?
The canonical SMILES for CID 22827442 is C=C1C(=O)C[C@@H](O[Si](C)C(C)(C)C)[C@@H]1/C=C/[C@H](CCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of CID 22827442?
The InChIKey is BEHGWSMNDOMALR-SUJNERICSA-N. The full InChI is InChI=1S/C25H47O3Si2/c1-12-13-14-15-20(28-30(10,11)25(6,7)8)16-17-21-19(2)22(26)18-23(21)27-29(9)24(3,4)5/h16-17,20-21,23H,2,12-15,18H2,1,3-11H3/b17-16+/t20-,21+,23+/m0/s1.
What are the key properties of CID 22827442?
CID 22827442 has a molecular weight of 451.82 g/mol, XLogP of 7.47, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22827442 is sourced from PubChem (CID 22827442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).