CID 87144868

C22H46O4Si2 — CID 87144868

IUPAC—
SMILESCCCCOC(OCCCC)[Si]CCCC[Si]C(OCCCC)OCCCC
InChIInChI=1S/C22H46O4Si2/c1-5-9-15-23-21(24-16-10-6-2)27-19-13-14-20-28-22(25-17-11-7-3)26-18-12-8-4/h21-22H,5-20H2,1-4H3
InChIKeyOGCVVUXBRHXHSX-UHFFFAOYSA-N
MW430.78 g/mol
LogP5.85
Rot. Bonds23

About CID 87144868

CID 87144868 (PubChem CID 87144868) has the molecular formula C22H46O4Si2 and a molecular weight of 430.78 g/mol.

Molecular Properties

Compound NameCID 87144868
PubChem CID87144868
Molecular FormulaC22H46O4Si2
Molecular Weight430.78 g/mol
Exact Mass430.29
IUPAC Name—
SMILESCCCCOC(OCCCC)[Si]CCCC[Si]C(OCCCC)OCCCC
InChIInChI=1S/C22H46O4Si2/c1-5-9-15-23-21(24-16-10-6-2)27-19-13-14-20-28-22(25-17-11-7-3)26-18-12-8-4/h21-22H,5-20H2,1-4H3
InChIKeyOGCVVUXBRHXHSX-UHFFFAOYSA-N
XLogP5.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.78
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 174617524
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CID 139887225
1-(1,3,3-triethoxypropoxy)butane
CID 139631124
1-butoxy-1-(1-butoxybutoxy)butane
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CID 87144552
CID 87144552

Frequently Asked Questions

What is the IUPAC name of CID 87144868?
The IUPAC name of CID 87144868 (CID 87144868) is not available.
What is the SMILES notation for CID 87144868?
The canonical SMILES for CID 87144868 is CCCCOC(OCCCC)[Si]CCCC[Si]C(OCCCC)OCCCC.
What is the InChIKey of CID 87144868?
The InChIKey is OGCVVUXBRHXHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O4Si2/c1-5-9-15-23-21(24-16-10-6-2)27-19-13-14-20-28-22(25-17-11-7-3)26-18-12-8-4/h21-22H,5-20H2,1-4H3.
What are the key properties of CID 87144868?
CID 87144868 has a molecular weight of 430.78 g/mol, XLogP of 5.85, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87144868 is sourced from PubChem (CID 87144868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).