CID 70184126

C23H27O6Si — CID 70184126

IUPAC—
SMILESC=CCc1ccc(O[Si](OC(=O)CC)Oc2ccc(CC=C)cc2OC)c(OC)c1
InChIInChI=1S/C23H27O6Si/c1-6-9-17-11-13-19(21(15-17)25-4)27-30(29-23(24)8-3)28-20-14-12-18(10-7-2)16-22(20)26-5/h6-7,11-16H,1-2,8-10H2,3-5H3
InChIKeyZJFQVMTTYRQONZ-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.56
Rot. Bonds12

About CID 70184126

CID 70184126 (PubChem CID 70184126) has the molecular formula C23H27O6Si and a molecular weight of 427.55 g/mol.

Molecular Properties

Compound NameCID 70184126
PubChem CID70184126
Molecular FormulaC23H27O6Si
Molecular Weight427.55 g/mol
Exact Mass427.16
IUPAC Name—
SMILESC=CCc1ccc(O[Si](OC(=O)CC)Oc2ccc(CC=C)cc2OC)c(OC)c1
InChIInChI=1S/C23H27O6Si/c1-6-9-17-11-13-19(21(15-17)25-4)27-30(29-23(24)8-3)28-20-14-12-18(10-7-2)16-22(20)26-5/h6-7,11-16H,1-2,8-10H2,3-5H3
InChIKeyZJFQVMTTYRQONZ-UHFFFAOYSA-N
XLogP4.56
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 70184126?
The IUPAC name of CID 70184126 (CID 70184126) is not available.
What is the SMILES notation for CID 70184126?
The canonical SMILES for CID 70184126 is C=CCc1ccc(O[Si](OC(=O)CC)Oc2ccc(CC=C)cc2OC)c(OC)c1.
What is the InChIKey of CID 70184126?
The InChIKey is ZJFQVMTTYRQONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27O6Si/c1-6-9-17-11-13-19(21(15-17)25-4)27-30(29-23(24)8-3)28-20-14-12-18(10-7-2)16-22(20)26-5/h6-7,11-16H,1-2,8-10H2,3-5H3.
What are the key properties of CID 70184126?
CID 70184126 has a molecular weight of 427.55 g/mol, XLogP of 4.56, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70184126 is sourced from PubChem (CID 70184126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).