CID 18454036

C26H54O6Si3 — CID 18454036

IUPAC—
SMILESCOC(OC)[Si]CCCCCC(C)(CCCCC[Si]C(OC)OC)CCCCC[Si]C(OC)OC
InChIInChI=1S/C26H54O6Si3/c1-26(17-11-8-14-20-33-23(27-2)28-3,18-12-9-15-21-34-24(29-4)30-5)19-13-10-16-22-35-25(31-6)32-7/h23-25H,8-22H2,1-7H3
InChIKeySPWMCWQUAMSBMJ-UHFFFAOYSA-N
MW546.97 g/mol
LogP5.77
Rot. Bonds27

About CID 18454036

CID 18454036 (PubChem CID 18454036) has the molecular formula C26H54O6Si3 and a molecular weight of 546.97 g/mol.

Molecular Properties

Compound NameCID 18454036
PubChem CID18454036
Molecular FormulaC26H54O6Si3
Molecular Weight546.97 g/mol
Exact Mass546.32
IUPAC Name—
SMILESCOC(OC)[Si]CCCCCC(C)(CCCCC[Si]C(OC)OC)CCCCC[Si]C(OC)OC
InChIInChI=1S/C26H54O6Si3/c1-26(17-11-8-14-20-33-23(27-2)28-3,18-12-9-15-21-34-24(29-4)30-5)19-13-10-16-22-35-25(31-6)32-7/h23-25H,8-22H2,1-7H3
InChIKeySPWMCWQUAMSBMJ-UHFFFAOYSA-N
XLogP5.77
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.97
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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[11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-methylundecyl]-dimethoxysilane
CID 123733042
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5-butyl-5-methylpentadecane
CID 174700907
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CID 87143851
5-(dimethoxymethyl)-5-methylundecane
CID 139546819
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CID 172619491

Frequently Asked Questions

What is the IUPAC name of CID 18454036?
The IUPAC name of CID 18454036 (CID 18454036) is not available.
What is the SMILES notation for CID 18454036?
The canonical SMILES for CID 18454036 is COC(OC)[Si]CCCCCC(C)(CCCCC[Si]C(OC)OC)CCCCC[Si]C(OC)OC.
What is the InChIKey of CID 18454036?
The InChIKey is SPWMCWQUAMSBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O6Si3/c1-26(17-11-8-14-20-33-23(27-2)28-3,18-12-9-15-21-34-24(29-4)30-5)19-13-10-16-22-35-25(31-6)32-7/h23-25H,8-22H2,1-7H3.
What are the key properties of CID 18454036?
CID 18454036 has a molecular weight of 546.97 g/mol, XLogP of 5.77, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18454036 is sourced from PubChem (CID 18454036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).