CID 18454122

C37H76O8Si4 — CID 18454122

IUPAC—
SMILESCOC(OC)[Si]CCCCCCC(CCCCCC[Si]C(OC)OC)(CCCCCC[Si]C(OC)OC)CCCCCC[Si]C(OC)OC
InChIInChI=1S/C37H76O8Si4/c1-38-33(39-2)46-29-21-13-9-17-25-37(26-18-10-14-22-30-47-34(40-3)41-4,27-19-11-15-23-31-48-35(42-5)43-6)28-20-12-16-24-32-49-36(44-7)45-8/h33-36H,9-32H2,1-8H3
InChIKeyROSOTUDMVSQOGB-UHFFFAOYSA-N
MW761.35 g/mol
LogP8.57
Rot. Bonds40

About CID 18454122

CID 18454122 (PubChem CID 18454122) has the molecular formula C37H76O8Si4 and a molecular weight of 761.35 g/mol.

Molecular Properties

Compound NameCID 18454122
PubChem CID18454122
Molecular FormulaC37H76O8Si4
Molecular Weight761.35 g/mol
Exact Mass760.46
IUPAC Name—
SMILESCOC(OC)[Si]CCCCCCC(CCCCCC[Si]C(OC)OC)(CCCCCC[Si]C(OC)OC)CCCCCC[Si]C(OC)OC
InChIInChI=1S/C37H76O8Si4/c1-38-33(39-2)46-29-21-13-9-17-25-37(26-18-10-14-22-30-47-34(40-3)41-4,27-19-11-15-23-31-48-35(42-5)43-6)28-20-12-16-24-32-49-36(44-7)45-8/h33-36H,9-32H2,1-8H3
InChIKeyROSOTUDMVSQOGB-UHFFFAOYSA-N
XLogP8.57
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds40
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.35
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 18454122?
The IUPAC name of CID 18454122 (CID 18454122) is not available.
What is the SMILES notation for CID 18454122?
The canonical SMILES for CID 18454122 is COC(OC)[Si]CCCCCCC(CCCCCC[Si]C(OC)OC)(CCCCCC[Si]C(OC)OC)CCCCCC[Si]C(OC)OC.
What is the InChIKey of CID 18454122?
The InChIKey is ROSOTUDMVSQOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H76O8Si4/c1-38-33(39-2)46-29-21-13-9-17-25-37(26-18-10-14-22-30-47-34(40-3)41-4,27-19-11-15-23-31-48-35(42-5)43-6)28-20-12-16-24-32-49-36(44-7)45-8/h33-36H,9-32H2,1-8H3.
What are the key properties of CID 18454122?
CID 18454122 has a molecular weight of 761.35 g/mol, XLogP of 8.57, 40 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18454122 is sourced from PubChem (CID 18454122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).