CID 87822452

C10H23O3Si — CID 87822452

IUPAC—
SMILESCCCCO[Si](OCCC)OCCC
InChIInChI=1S/C10H23O3Si/c1-4-7-10-13-14(11-8-5-2)12-9-6-3/h4-10H2,1-3H3
InChIKeyAEQJXMPQCQGSIO-UHFFFAOYSA-N
MW219.38 g/mol
LogP2.64
Rot. Bonds10

About CID 87822452

CID 87822452 (PubChem CID 87822452) has the molecular formula C10H23O3Si and a molecular weight of 219.38 g/mol.

Molecular Properties

Compound NameCID 87822452
PubChem CID87822452
Molecular FormulaC10H23O3Si
Molecular Weight219.38 g/mol
Exact Mass219.14
IUPAC Name—
SMILESCCCCO[Si](OCCC)OCCC
InChIInChI=1S/C10H23O3Si/c1-4-7-10-13-14(11-8-5-2)12-9-6-3/h4-10H2,1-3H3
InChIKeyAEQJXMPQCQGSIO-UHFFFAOYSA-N
XLogP2.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 87822452?
The IUPAC name of CID 87822452 (CID 87822452) is not available.
What is the SMILES notation for CID 87822452?
The canonical SMILES for CID 87822452 is CCCCO[Si](OCCC)OCCC.
What is the InChIKey of CID 87822452?
The InChIKey is AEQJXMPQCQGSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O3Si/c1-4-7-10-13-14(11-8-5-2)12-9-6-3/h4-10H2,1-3H3.
What are the key properties of CID 87822452?
CID 87822452 has a molecular weight of 219.38 g/mol, XLogP of 2.64, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87822452 is sourced from PubChem (CID 87822452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).