trimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane

C24H48O2Si — CID 170688837

IUPACtrimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane
SMILESCC(C)OCCOCCCCCCCCCCCCCCC#C[Si](C)(C)C
InChIInChI=1S/C24H48O2Si/c1-24(2)26-22-21-25-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-23-27(3,4)5/h24H,6-18,20-22H2,1-5H3
InChIKeyWJISCJOGYYVOAD-UHFFFAOYSA-N
MW396.73 g/mol
LogP7.38
Rot. Bonds18

About trimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane

trimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane (PubChem CID 170688837) has the molecular formula C24H48O2Si and a molecular weight of 396.73 g/mol. Its IUPAC name is trimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane
PubChem CID170688837
Molecular FormulaC24H48O2Si
Molecular Weight396.73 g/mol
Exact Mass396.34
IUPAC Nametrimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane
SMILESCC(C)OCCOCCCCCCCCCCCCCCC#C[Si](C)(C)C
InChIInChI=1S/C24H48O2Si/c1-24(2)26-22-21-25-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-23-27(3,4)5/h24H,6-18,20-22H2,1-5H3
InChIKeyWJISCJOGYYVOAD-UHFFFAOYSA-N
XLogP7.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.73
LogP ≤ 57.38
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane?
The IUPAC name of trimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane (CID 170688837) is trimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane.
What is the SMILES notation for trimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane?
The canonical SMILES for trimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane is CC(C)OCCOCCCCCCCCCCCCCCC#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane?
The InChIKey is WJISCJOGYYVOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O2Si/c1-24(2)26-22-21-25-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-23-27(3,4)5/h24H,6-18,20-22H2,1-5H3.
What are the key properties of trimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane?
trimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane has a molecular weight of 396.73 g/mol, XLogP of 7.38, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane is sourced from PubChem (CID 170688837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).