CID 22952265

C28H45O6Si — CID 22952265

IUPAC—
SMILESCOC(=O)OC12COC1CC(C)C1(C)C(=O)C(C)C3=C(C)C(C)CC(O[Si](C)C)(C(C)C21)C3(C)C
InChIInChI=1S/C28H45O6Si/c1-15-13-28(34-35(10)11)19(5)22-26(8,23(29)18(4)21(17(15)3)25(28,6)7)16(2)12-20-27(22,14-32-20)33-24(30)31-9/h15-16,18-20,22H,12-14H2,1-11H3
InChIKeySCIMJBPUWURRSH-UHFFFAOYSA-N
MW505.75 g/mol
LogP5.81
Rot. Bonds3

About CID 22952265

CID 22952265 (PubChem CID 22952265) has the molecular formula C28H45O6Si and a molecular weight of 505.75 g/mol.

Molecular Properties

Compound NameCID 22952265
PubChem CID22952265
Molecular FormulaC28H45O6Si
Molecular Weight505.75 g/mol
Exact Mass505.30
IUPAC Name—
SMILESCOC(=O)OC12COC1CC(C)C1(C)C(=O)C(C)C3=C(C)C(C)CC(O[Si](C)C)(C(C)C21)C3(C)C
InChIInChI=1S/C28H45O6Si/c1-15-13-28(34-35(10)11)19(5)22-26(8,23(29)18(4)21(17(15)3)25(28,6)7)16(2)12-20-27(22,14-32-20)33-24(30)31-9/h15-16,18-20,22H,12-14H2,1-11H3
InChIKeySCIMJBPUWURRSH-UHFFFAOYSA-N
XLogP5.81
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.75
LogP ≤ 55.81
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 22952265?
The IUPAC name of CID 22952265 (CID 22952265) is not available.
What is the SMILES notation for CID 22952265?
The canonical SMILES for CID 22952265 is COC(=O)OC12COC1CC(C)C1(C)C(=O)C(C)C3=C(C)C(C)CC(O[Si](C)C)(C(C)C21)C3(C)C.
What is the InChIKey of CID 22952265?
The InChIKey is SCIMJBPUWURRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45O6Si/c1-15-13-28(34-35(10)11)19(5)22-26(8,23(29)18(4)21(17(15)3)25(28,6)7)16(2)12-20-27(22,14-32-20)33-24(30)31-9/h15-16,18-20,22H,12-14H2,1-11H3.
What are the key properties of CID 22952265?
CID 22952265 has a molecular weight of 505.75 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22952265 is sourced from PubChem (CID 22952265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).