CID 150955062

C27H46O4SSi — CID 150955062

IUPAC—
SMILESCCCCCCCC(=O)SCCC[Si]Oc1cc(OC)c(C(C)(C)C)c(OC)c1C(C)(C)C
InChIInChI=1S/C27H46O4SSi/c1-10-11-12-13-14-16-22(28)32-17-15-18-33-31-21-19-20(29-8)23(26(2,3)4)25(30-9)24(21)27(5,6)7/h19H,10-18H2,1-9H3
InChIKeyRMOWNWDNUJLRND-UHFFFAOYSA-N
MW494.81 g/mol
LogP7.73
Rot. Bonds14

About CID 150955062

CID 150955062 (PubChem CID 150955062) has the molecular formula C27H46O4SSi and a molecular weight of 494.81 g/mol.

Molecular Properties

Compound NameCID 150955062
PubChem CID150955062
Molecular FormulaC27H46O4SSi
Molecular Weight494.81 g/mol
Exact Mass494.29
IUPAC Name—
SMILESCCCCCCCC(=O)SCCC[Si]Oc1cc(OC)c(C(C)(C)C)c(OC)c1C(C)(C)C
InChIInChI=1S/C27H46O4SSi/c1-10-11-12-13-14-16-22(28)32-17-15-18-33-31-21-19-20(29-8)23(26(2,3)4)25(30-9)24(21)27(5,6)7/h19H,10-18H2,1-9H3
InChIKeyRMOWNWDNUJLRND-UHFFFAOYSA-N
XLogP7.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.81
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 150955062 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 150955062?
The IUPAC name of CID 150955062 (CID 150955062) is not available.
What is the SMILES notation for CID 150955062?
The canonical SMILES for CID 150955062 is CCCCCCCC(=O)SCCC[Si]Oc1cc(OC)c(C(C)(C)C)c(OC)c1C(C)(C)C.
What is the InChIKey of CID 150955062?
The InChIKey is RMOWNWDNUJLRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46O4SSi/c1-10-11-12-13-14-16-22(28)32-17-15-18-33-31-21-19-20(29-8)23(26(2,3)4)25(30-9)24(21)27(5,6)7/h19H,10-18H2,1-9H3.
What are the key properties of CID 150955062?
CID 150955062 has a molecular weight of 494.81 g/mol, XLogP of 7.73, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 150955062 is sourced from PubChem (CID 150955062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).