oct-1-yn-3-yloxy-tri(propan-2-yl)silane

C17H34OSi — CID 10869775

IUPACoct-1-yn-3-yloxy-tri(propan-2-yl)silane
SMILESC#CC(CCCCC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34OSi/c1-9-11-12-13-17(10-2)18-19(14(3)4,15(5)6)16(7)8/h2,14-17H,9,11-13H2,1,3-8H3
InChIKeyAENWCVGJIQOFPT-UHFFFAOYSA-N
MW282.54 g/mol
LogP5.76
Rot. Bonds9

About oct-1-yn-3-yloxy-tri(propan-2-yl)silane

oct-1-yn-3-yloxy-tri(propan-2-yl)silane (PubChem CID 10869775) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is oct-1-yn-3-yloxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Nameoct-1-yn-3-yloxy-tri(propan-2-yl)silane
PubChem CID10869775
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Nameoct-1-yn-3-yloxy-tri(propan-2-yl)silane
SMILESC#CC(CCCCC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34OSi/c1-9-11-12-13-17(10-2)18-19(14(3)4,15(5)6)16(7)8/h2,14-17H,9,11-13H2,1,3-8H3
InChIKeyAENWCVGJIQOFPT-UHFFFAOYSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.76
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[(3R)-oct-1-yn-3-yl]oxysilane
CID 129404520
[(3R,8S,9R)-9-methoxy-8-methylundec-1-yn-3-yl]oxy-tri(propan-2-yl)silane
CID 24879566
1-bromonon-1-yn-3-yloxy-tri(propan-2-yl)silane
CID 71662309
bromomethyl-dimethyl-oct-1-yn-3-yloxysilane
CID 10333708
3-ethoxyoct-1-yne
CID 20555693
(3R)-3-methyloct-1-yne
CID 59216928
3-prop-2-enoxyoct-1-yne
CID 11126647
2,3-dimethylbutan-2-yl(oct-1-yn-3-yloxy)silane
CID 123893001
(3R)-3-tri(propan-2-yl)silyloxyhexadecanal
CID 16741866
[1,1-dimethoxy-2-tri(propan-2-yl)silyloxyoctan-3-yl]oxy-tri(propan-2-yl)silane
CID 174144544
tri(propan-2-yl)-undec-1-en-6-yn-5-yloxysilane
CID 15638524
trimethyl(oct-1-yn-3-yl)silane
CID 13199502

Frequently Asked Questions

What is the IUPAC name of oct-1-yn-3-yloxy-tri(propan-2-yl)silane?
The IUPAC name of oct-1-yn-3-yloxy-tri(propan-2-yl)silane (CID 10869775) is oct-1-yn-3-yloxy-tri(propan-2-yl)silane.
What is the SMILES notation for oct-1-yn-3-yloxy-tri(propan-2-yl)silane?
The canonical SMILES for oct-1-yn-3-yloxy-tri(propan-2-yl)silane is C#CC(CCCCC)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of oct-1-yn-3-yloxy-tri(propan-2-yl)silane?
The InChIKey is AENWCVGJIQOFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34OSi/c1-9-11-12-13-17(10-2)18-19(14(3)4,15(5)6)16(7)8/h2,14-17H,9,11-13H2,1,3-8H3.
What are the key properties of oct-1-yn-3-yloxy-tri(propan-2-yl)silane?
oct-1-yn-3-yloxy-tri(propan-2-yl)silane has a molecular weight of 282.54 g/mol, XLogP of 5.76, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oct-1-yn-3-yloxy-tri(propan-2-yl)silane is sourced from PubChem (CID 10869775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).