CID 20725087

C36H78O5Si3 — CID 20725087

IUPAC—
SMILESCCCCCCCCC(CCCCCCCCCCC(C(CCCOCC(O)CO)CO[Si](C)(C)C)[Si](C)(C)C)CO[Si]C
InChIInChI=1S/C36H78O5Si3/c1-9-10-11-12-17-20-24-33(30-40-42-2)25-21-18-15-13-14-16-19-22-27-36(43(3,4)5)34(31-41-44(6,7)8)26-23-28-39-32-35(38)29-37/h33-38H,9-32H2,1-8H3
InChIKeyNELXUWKJVJBGJD-UHFFFAOYSA-N
MW675.27 g/mol
LogP10.26
Rot. Bonds33

About CID 20725087

CID 20725087 (PubChem CID 20725087) has the molecular formula C36H78O5Si3 and a molecular weight of 675.27 g/mol.

Molecular Properties

Compound NameCID 20725087
PubChem CID20725087
Molecular FormulaC36H78O5Si3
Molecular Weight675.27 g/mol
Exact Mass674.52
IUPAC Name—
SMILESCCCCCCCCC(CCCCCCCCCCC(C(CCCOCC(O)CO)CO[Si](C)(C)C)[Si](C)(C)C)CO[Si]C
InChIInChI=1S/C36H78O5Si3/c1-9-10-11-12-17-20-24-33(30-40-42-2)25-21-18-15-13-14-16-19-22-27-36(43(3,4)5)34(31-41-44(6,7)8)26-23-28-39-32-35(38)29-37/h33-38H,9-32H2,1-8H3
InChIKeyNELXUWKJVJBGJD-UHFFFAOYSA-N
XLogP10.26
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds33
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.27
LogP ≤ 510.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 20725087?
The IUPAC name of CID 20725087 (CID 20725087) is not available.
What is the SMILES notation for CID 20725087?
The canonical SMILES for CID 20725087 is CCCCCCCCC(CCCCCCCCCCC(C(CCCOCC(O)CO)CO[Si](C)(C)C)[Si](C)(C)C)CO[Si]C.
What is the InChIKey of CID 20725087?
The InChIKey is NELXUWKJVJBGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H78O5Si3/c1-9-10-11-12-17-20-24-33(30-40-42-2)25-21-18-15-13-14-16-19-22-27-36(43(3,4)5)34(31-41-44(6,7)8)26-23-28-39-32-35(38)29-37/h33-38H,9-32H2,1-8H3.
What are the key properties of CID 20725087?
CID 20725087 has a molecular weight of 675.27 g/mol, XLogP of 10.26, 33 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20725087 is sourced from PubChem (CID 20725087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).