2,2-dimethyldocos-14-en-3-yloxy(dimethyl)silane

C26H54OSi — CID 174214679

IUPAC2,2-dimethyldocos-14-en-3-yloxy(dimethyl)silane
SMILESCCCCCCCC=CCCCCCCCCCCC(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C26H54OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26(2,3)4)27-28(5)6/h13-14,25,28H,7-12,15-24H2,1-6H3
InChIKeyZYNFEEMQCDWZQL-UHFFFAOYSA-N
MW410.80 g/mol
LogP9.22
Rot. Bonds19

About 2,2-dimethyldocos-14-en-3-yloxy(dimethyl)silane

2,2-dimethyldocos-14-en-3-yloxy(dimethyl)silane (PubChem CID 174214679) has the molecular formula C26H54OSi and a molecular weight of 410.80 g/mol. Its IUPAC name is 2,2-dimethyldocos-14-en-3-yloxy(dimethyl)silane.

Molecular Properties

Compound Name2,2-dimethyldocos-14-en-3-yloxy(dimethyl)silane
PubChem CID174214679
Molecular FormulaC26H54OSi
Molecular Weight410.80 g/mol
Exact Mass410.39
IUPAC Name2,2-dimethyldocos-14-en-3-yloxy(dimethyl)silane
SMILESCCCCCCCC=CCCCCCCCCCCC(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C26H54OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26(2,3)4)27-28(5)6/h13-14,25,28H,7-12,15-24H2,1-6H3
InChIKeyZYNFEEMQCDWZQL-UHFFFAOYSA-N
XLogP9.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.80
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyldocos-14-en-3-yloxy(dimethyl)silane?
The IUPAC name of 2,2-dimethyldocos-14-en-3-yloxy(dimethyl)silane (CID 174214679) is 2,2-dimethyldocos-14-en-3-yloxy(dimethyl)silane.
What is the SMILES notation for 2,2-dimethyldocos-14-en-3-yloxy(dimethyl)silane?
The canonical SMILES for 2,2-dimethyldocos-14-en-3-yloxy(dimethyl)silane is CCCCCCCC=CCCCCCCCCCCC(O[SiH](C)C)C(C)(C)C.
What is the InChIKey of 2,2-dimethyldocos-14-en-3-yloxy(dimethyl)silane?
The InChIKey is ZYNFEEMQCDWZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26(2,3)4)27-28(5)6/h13-14,25,28H,7-12,15-24H2,1-6H3.
What are the key properties of 2,2-dimethyldocos-14-en-3-yloxy(dimethyl)silane?
2,2-dimethyldocos-14-en-3-yloxy(dimethyl)silane has a molecular weight of 410.80 g/mol, XLogP of 9.22, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyldocos-14-en-3-yloxy(dimethyl)silane is sourced from PubChem (CID 174214679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).