CID 18454074

C16H40O8Si5 — CID 18454074

IUPAC—
SMILESCO[Si](OC)C(C)[Si](C(C)[Si](OC)OC)(C(C)[Si](OC)OC)C(C)[Si](OC)OC
InChIInChI=1S/C16H40O8Si5/c1-13(25(17-5)18-6)29(14(2)26(19-7)20-8,15(3)27(21-9)22-10)16(4)28(23-11)24-12/h13-16H,1-12H3
InChIKeyVQCSSSYAKXQDHC-UHFFFAOYSA-N
MW500.92 g/mol
LogP2.28
Rot. Bonds16

About CID 18454074

CID 18454074 (PubChem CID 18454074) has the molecular formula C16H40O8Si5 and a molecular weight of 500.92 g/mol.

Molecular Properties

Compound NameCID 18454074
PubChem CID18454074
Molecular FormulaC16H40O8Si5
Molecular Weight500.92 g/mol
Exact Mass500.16
IUPAC Name—
SMILESCO[Si](OC)C(C)[Si](C(C)[Si](OC)OC)(C(C)[Si](OC)OC)C(C)[Si](OC)OC
InChIInChI=1S/C16H40O8Si5/c1-13(25(17-5)18-6)29(14(2)26(19-7)20-8,15(3)27(21-9)22-10)16(4)28(23-11)24-12/h13-16H,1-12H3
InChIKeyVQCSSSYAKXQDHC-UHFFFAOYSA-N
XLogP2.28
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.92
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 18454074?
The IUPAC name of CID 18454074 (CID 18454074) is not available.
What is the SMILES notation for CID 18454074?
The canonical SMILES for CID 18454074 is CO[Si](OC)C(C)[Si](C(C)[Si](OC)OC)(C(C)[Si](OC)OC)C(C)[Si](OC)OC.
What is the InChIKey of CID 18454074?
The InChIKey is VQCSSSYAKXQDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40O8Si5/c1-13(25(17-5)18-6)29(14(2)26(19-7)20-8,15(3)27(21-9)22-10)16(4)28(23-11)24-12/h13-16H,1-12H3.
What are the key properties of CID 18454074?
CID 18454074 has a molecular weight of 500.92 g/mol, XLogP of 2.28, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18454074 is sourced from PubChem (CID 18454074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).