hexadecoxy-dimethyl-(4-methylpentoxy)silane

C24H52O2Si — CID 91744434

IUPAChexadecoxy-dimethyl-(4-methylpentoxy)silane
SMILESCCCCCCCCCCCCCCCCO[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C24H52O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-27(4,5)26-23-20-21-24(2)3/h24H,6-23H2,1-5H3
InChIKeyMBIGQAKKBKHXQW-UHFFFAOYSA-N
MW400.76 g/mol
LogP8.64
Rot. Bonds21

About hexadecoxy-dimethyl-(4-methylpentoxy)silane

hexadecoxy-dimethyl-(4-methylpentoxy)silane (PubChem CID 91744434) has the molecular formula C24H52O2Si and a molecular weight of 400.76 g/mol. Its IUPAC name is hexadecoxy-dimethyl-(4-methylpentoxy)silane.

Molecular Properties

Compound Namehexadecoxy-dimethyl-(4-methylpentoxy)silane
PubChem CID91744434
Molecular FormulaC24H52O2Si
Molecular Weight400.76 g/mol
Exact Mass400.37
IUPAC Namehexadecoxy-dimethyl-(4-methylpentoxy)silane
SMILESCCCCCCCCCCCCCCCCO[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C24H52O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-27(4,5)26-23-20-21-24(2)3/h24H,6-23H2,1-5H3
InChIKeyMBIGQAKKBKHXQW-UHFFFAOYSA-N
XLogP8.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.76
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 hexadecoxy-dimethyl-(4-methylpentoxy)silane?
The IUPAC name of hexadecoxy-dimethyl-(4-methylpentoxy)silane (CID 91744434) is hexadecoxy-dimethyl-(4-methylpentoxy)silane.
What is the SMILES notation for hexadecoxy-dimethyl-(4-methylpentoxy)silane?
The canonical SMILES for hexadecoxy-dimethyl-(4-methylpentoxy)silane is CCCCCCCCCCCCCCCCO[Si](C)(C)OCCCC(C)C.
What is the InChIKey of hexadecoxy-dimethyl-(4-methylpentoxy)silane?
The InChIKey is MBIGQAKKBKHXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-27(4,5)26-23-20-21-24(2)3/h24H,6-23H2,1-5H3.
What are the key properties of hexadecoxy-dimethyl-(4-methylpentoxy)silane?
hexadecoxy-dimethyl-(4-methylpentoxy)silane has a molecular weight of 400.76 g/mol, XLogP of 8.64, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecoxy-dimethyl-(4-methylpentoxy)silane is sourced from PubChem (CID 91744434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).