5-(3,3-dimethylbut-1-ynyl)nona-1,8-dien-5-yloxy-triethylsilane

C21H38OSi — CID 10520755

IUPAC5-(3,3-dimethylbut-1-ynyl)nona-1,8-dien-5-yloxy-triethylsilane
SMILESC=CCCC(C#CC(C)(C)C)(CCC=C)O[Si](CC)(CC)CC
InChIInChI=1S/C21H38OSi/c1-9-14-16-21(17-15-10-2,19-18-20(6,7)8)22-23(11-3,12-4)13-5/h9-10H,1-2,11-17H2,3-8H3
InChIKeyPQUZESBIJAGIHK-UHFFFAOYSA-N
MW334.62 g/mol
LogP6.73
Rot. Bonds11

About 5-(3,3-dimethylbut-1-ynyl)nona-1,8-dien-5-yloxy-triethylsilane

5-(3,3-dimethylbut-1-ynyl)nona-1,8-dien-5-yloxy-triethylsilane (PubChem CID 10520755) has the molecular formula C21H38OSi and a molecular weight of 334.62 g/mol. Its IUPAC name is 5-(3,3-dimethylbut-1-ynyl)nona-1,8-dien-5-yloxy-triethylsilane.

Molecular Properties

Compound Name5-(3,3-dimethylbut-1-ynyl)nona-1,8-dien-5-yloxy-triethylsilane
PubChem CID10520755
Molecular FormulaC21H38OSi
Molecular Weight334.62 g/mol
Exact Mass334.27
IUPAC Name5-(3,3-dimethylbut-1-ynyl)nona-1,8-dien-5-yloxy-triethylsilane
SMILESC=CCCC(C#CC(C)(C)C)(CCC=C)O[Si](CC)(CC)CC
InChIInChI=1S/C21H38OSi/c1-9-14-16-21(17-15-10-2,19-18-20(6,7)8)22-23(11-3,12-4)13-5/h9-10H,1-2,11-17H2,3-8H3
InChIKeyPQUZESBIJAGIHK-UHFFFAOYSA-N
XLogP6.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.62
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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

5-Ethynylnon-1-en-8-yn-5-yloxy(trimethyl)silane
CID 10988206
[(Z)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane
CID 10786952
tri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane
CID 10968867
[3-Methyl-3-(2-methylprop-2-enyl)oct-7-en-1-ynoxy]-tri(propan-2-yl)silane
CID 11405343
Triethyl(5-prop-1-ynyldeca-1,9-dien-5-yloxy)silane
CID 11748805
Triethyl(6-prop-1-ynylundeca-1,10-dien-6-yloxy)silane
CID 14936189
triethyl-[(9E)-5-prop-1-ynylundeca-1,9-dien-5-yl]oxysilane
CID 14936192
triethyl-[(9Z)-6-prop-1-ynyldodeca-1,9-dien-6-yl]oxysilane
CID 101673816
Tert-butyl-dimethyl-(3-methylnon-8-en-1-yn-3-yloxy)silane
CID 122395882
Lithium;copper(1+);pent-1-yne;triethyl(4-methyloct-1-en-4-yloxy)silane
CID 134990695
[(Z,7S)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane
CID 176431397
5-Ethynylnon-1-en-8-yn-5-yloxy-dimethyl-prop-2-enylsilane
CID 15247300

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbut-1-ynyl)nona-1,8-dien-5-yloxy-triethylsilane?
The IUPAC name of 5-(3,3-dimethylbut-1-ynyl)nona-1,8-dien-5-yloxy-triethylsilane (CID 10520755) is 5-(3,3-dimethylbut-1-ynyl)nona-1,8-dien-5-yloxy-triethylsilane.
What is the SMILES notation for 5-(3,3-dimethylbut-1-ynyl)nona-1,8-dien-5-yloxy-triethylsilane?
The canonical SMILES for 5-(3,3-dimethylbut-1-ynyl)nona-1,8-dien-5-yloxy-triethylsilane is C=CCCC(C#CC(C)(C)C)(CCC=C)O[Si](CC)(CC)CC.
What is the InChIKey of 5-(3,3-dimethylbut-1-ynyl)nona-1,8-dien-5-yloxy-triethylsilane?
The InChIKey is PQUZESBIJAGIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38OSi/c1-9-14-16-21(17-15-10-2,19-18-20(6,7)8)22-23(11-3,12-4)13-5/h9-10H,1-2,11-17H2,3-8H3.
What are the key properties of 5-(3,3-dimethylbut-1-ynyl)nona-1,8-dien-5-yloxy-triethylsilane?
5-(3,3-dimethylbut-1-ynyl)nona-1,8-dien-5-yloxy-triethylsilane has a molecular weight of 334.62 g/mol, XLogP of 6.73, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbut-1-ynyl)nona-1,8-dien-5-yloxy-triethylsilane is sourced from PubChem (CID 10520755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).