CID 67221086

C28H37O7Si — CID 67221086

IUPAC—
SMILESCOc1cc(C(=O)c2c(C(C)(C)C)oc3c(OC(C)C)c(OC)cc([Si](C)C)c23)cc(OC)c1OC
InChIInChI=1S/C28H37O7Si/c1-15(2)34-25-19(32-8)14-20(36(10)11)21-22(27(28(3,4)5)35-26(21)25)23(29)16-12-17(30-6)24(33-9)18(13-16)31-7/h12-15H,1-11H3
InChIKeyQVDPDTHZEUCLTF-UHFFFAOYSA-N
MW513.68 g/mol
LogP5.74
Rot. Bonds9

About CID 67221086

CID 67221086 (PubChem CID 67221086) has the molecular formula C28H37O7Si and a molecular weight of 513.68 g/mol.

Molecular Properties

Compound NameCID 67221086
PubChem CID67221086
Molecular FormulaC28H37O7Si
Molecular Weight513.68 g/mol
Exact Mass513.23
IUPAC Name—
SMILESCOc1cc(C(=O)c2c(C(C)(C)C)oc3c(OC(C)C)c(OC)cc([Si](C)C)c23)cc(OC)c1OC
InChIInChI=1S/C28H37O7Si/c1-15(2)34-25-19(32-8)14-20(36(10)11)21-22(27(28(3,4)5)35-26(21)25)23(29)16-12-17(30-6)24(33-9)18(13-16)31-7/h12-15H,1-11H3
InChIKeyQVDPDTHZEUCLTF-UHFFFAOYSA-N
XLogP5.74
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.68
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 67221086?
The IUPAC name of CID 67221086 (CID 67221086) is not available.
What is the SMILES notation for CID 67221086?
The canonical SMILES for CID 67221086 is COc1cc(C(=O)c2c(C(C)(C)C)oc3c(OC(C)C)c(OC)cc([Si](C)C)c23)cc(OC)c1OC.
What is the InChIKey of CID 67221086?
The InChIKey is QVDPDTHZEUCLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37O7Si/c1-15(2)34-25-19(32-8)14-20(36(10)11)21-22(27(28(3,4)5)35-26(21)25)23(29)16-12-17(30-6)24(33-9)18(13-16)31-7/h12-15H,1-11H3.
What are the key properties of CID 67221086?
CID 67221086 has a molecular weight of 513.68 g/mol, XLogP of 5.74, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67221086 is sourced from PubChem (CID 67221086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).