tert-butyl-dimethyl-[4-methyl-11-(oxan-2-yloxy)undec-1-en-7-yn-4-yl]oxysilane

C23H42O3Si — CID 11326882

IUPACtert-butyl-dimethyl-[4-methyl-11-(oxan-2-yloxy)undec-1-en-7-yn-4-yl]oxysilane
SMILESC=CCC(C)(CCC#CCCCOC1CCCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O3Si/c1-8-17-23(5,26-27(6,7)22(2,3)4)18-13-10-9-11-14-19-24-21-16-12-15-20-25-21/h8,21H,1,11-20H2,2-7H3
InChIKeyBQMISUIUWBMECH-UHFFFAOYSA-N
MW394.67 g/mol
LogP6.45
Rot. Bonds10

About tert-butyl-dimethyl-[4-methyl-11-(oxan-2-yloxy)undec-1-en-7-yn-4-yl]oxysilane

tert-butyl-dimethyl-[4-methyl-11-(oxan-2-yloxy)undec-1-en-7-yn-4-yl]oxysilane (PubChem CID 11326882) has the molecular formula C23H42O3Si and a molecular weight of 394.67 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-methyl-11-(oxan-2-yloxy)undec-1-en-7-yn-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-methyl-11-(oxan-2-yloxy)undec-1-en-7-yn-4-yl]oxysilane
PubChem CID11326882
Molecular FormulaC23H42O3Si
Molecular Weight394.67 g/mol
Exact Mass394.29
IUPAC Nametert-butyl-dimethyl-[4-methyl-11-(oxan-2-yloxy)undec-1-en-7-yn-4-yl]oxysilane
SMILESC=CCC(C)(CCC#CCCCOC1CCCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O3Si/c1-8-17-23(5,26-27(6,7)22(2,3)4)18-13-10-9-11-14-19-24-21-16-12-15-20-25-21/h8,21H,1,11-20H2,2-7H3
InChIKeyBQMISUIUWBMECH-UHFFFAOYSA-N
XLogP6.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.67
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[(6E,10E)-3,7,11-trimethyl-14-(oxan-2-yloxy)tetradeca-6,10-dien-1-yn-3-yl]oxysilane
CID 12000505
2-[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]ethynyl-trimethylsilane
CID 10732443
tert-butyl-[(3S,4S)-8-(2,2-dimethyl-1,3-dioxan-5-yl)-4-ethenyloct-1-en-7-yn-3-yl]oxy-dimethylsilane
CID 10762231
Trimethyl-[3-(oxan-2-yloxy)-3-(2-trimethylsilylethynyl)hex-5-en-1-ynyl]silane
CID 16745116

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-methyl-11-(oxan-2-yloxy)undec-1-en-7-yn-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[4-methyl-11-(oxan-2-yloxy)undec-1-en-7-yn-4-yl]oxysilane (CID 11326882) is tert-butyl-dimethyl-[4-methyl-11-(oxan-2-yloxy)undec-1-en-7-yn-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[4-methyl-11-(oxan-2-yloxy)undec-1-en-7-yn-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[4-methyl-11-(oxan-2-yloxy)undec-1-en-7-yn-4-yl]oxysilane is C=CCC(C)(CCC#CCCCOC1CCCCO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[4-methyl-11-(oxan-2-yloxy)undec-1-en-7-yn-4-yl]oxysilane?
The InChIKey is BQMISUIUWBMECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O3Si/c1-8-17-23(5,26-27(6,7)22(2,3)4)18-13-10-9-11-14-19-24-21-16-12-15-20-25-21/h8,21H,1,11-20H2,2-7H3.
What are the key properties of tert-butyl-dimethyl-[4-methyl-11-(oxan-2-yloxy)undec-1-en-7-yn-4-yl]oxysilane?
tert-butyl-dimethyl-[4-methyl-11-(oxan-2-yloxy)undec-1-en-7-yn-4-yl]oxysilane has a molecular weight of 394.67 g/mol, XLogP of 6.45, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-methyl-11-(oxan-2-yloxy)undec-1-en-7-yn-4-yl]oxysilane is sourced from PubChem (CID 11326882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).