CID 164703458

C21H50O8Si6 — CID 164703458

IUPAC—
SMILESC[SiH](C)O[Si](C)(C)O[Si]CCOC(=O)CCCCC(=O)OCCC[Si](C)(C)O[Si](C)(C)O[SiH](C)C
InChIInChI=1S/C21H50O8Si6/c1-31(2)27-34(7,8)26-30-18-17-25-21(23)15-12-11-14-20(22)24-16-13-19-33(5,6)29-35(9,10)28-32(3)4/h31-32H,11-19H2,1-10H3
InChIKeyLSKCJUDJGJMVRO-UHFFFAOYSA-N
MW599.14 g/mol
LogP4.70
Rot. Bonds20

About CID 164703458

CID 164703458 (PubChem CID 164703458) has the molecular formula C21H50O8Si6 and a molecular weight of 599.14 g/mol.

Molecular Properties

Compound NameCID 164703458
PubChem CID164703458
Molecular FormulaC21H50O8Si6
Molecular Weight599.14 g/mol
Exact Mass598.21
IUPAC Name—
SMILESC[SiH](C)O[Si](C)(C)O[Si]CCOC(=O)CCCCC(=O)OCCC[Si](C)(C)O[Si](C)(C)O[SiH](C)C
InChIInChI=1S/C21H50O8Si6/c1-31(2)27-34(7,8)26-30-18-17-25-21(23)15-12-11-14-20(22)24-16-13-19-33(5,6)29-35(9,10)28-32(3)4/h31-32H,11-19H2,1-10H3
InChIKeyLSKCJUDJGJMVRO-UHFFFAOYSA-N
XLogP4.70
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.14
LogP ≤ 54.70
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 164703458?
The IUPAC name of CID 164703458 (CID 164703458) is not available.
What is the SMILES notation for CID 164703458?
The canonical SMILES for CID 164703458 is C[SiH](C)O[Si](C)(C)O[Si]CCOC(=O)CCCCC(=O)OCCC[Si](C)(C)O[Si](C)(C)O[SiH](C)C.
What is the InChIKey of CID 164703458?
The InChIKey is LSKCJUDJGJMVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H50O8Si6/c1-31(2)27-34(7,8)26-30-18-17-25-21(23)15-12-11-14-20(22)24-16-13-19-33(5,6)29-35(9,10)28-32(3)4/h31-32H,11-19H2,1-10H3.
What are the key properties of CID 164703458?
CID 164703458 has a molecular weight of 599.14 g/mol, XLogP of 4.70, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164703458 is sourced from PubChem (CID 164703458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).