2,3-dimethylbutan-2-yl(oct-1-yn-3-yloxy)silane

C14H28OSi — CID 123893001

IUPAC2,3-dimethylbutan-2-yl(oct-1-yn-3-yloxy)silane
SMILESC#CC(CCCCC)O[SiH2]C(C)(C)C(C)C
InChIInChI=1S/C14H28OSi/c1-7-9-10-11-13(8-2)15-16-14(5,6)12(3)4/h2,12-13H,7,9-11,16H2,1,3-6H3
InChIKeyHEZOGIQJJKTBMQ-UHFFFAOYSA-N
MW240.46 g/mol
LogP3.52
Rot. Bonds8

About 2,3-dimethylbutan-2-yl(oct-1-yn-3-yloxy)silane

2,3-dimethylbutan-2-yl(oct-1-yn-3-yloxy)silane (PubChem CID 123893001) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl(oct-1-yn-3-yloxy)silane.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl(oct-1-yn-3-yloxy)silane
PubChem CID123893001
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name2,3-dimethylbutan-2-yl(oct-1-yn-3-yloxy)silane
SMILESC#CC(CCCCC)O[SiH2]C(C)(C)C(C)C
InChIInChI=1S/C14H28OSi/c1-7-9-10-11-13(8-2)15-16-14(5,6)12(3)4/h2,12-13H,7,9-11,16H2,1,3-6H3
InChIKeyHEZOGIQJJKTBMQ-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 53.52
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

3-ethoxyoct-1-yne
CID 20555693
3-prop-2-enoxyoct-1-yne
CID 11126647
tert-butyl non-1-yn-3-yl carbonate
CID 101420781
oct-1-yn-3-yloxy-tri(propan-2-yl)silane
CID 10869775
trimethyl-[(3R)-oct-1-yn-3-yl]oxysilane
CID 129404520
2,2-dimethyl-3-(2-oct-1-yn-3-yloxypropan-2-yl)undecane
CID 152731804
(3R)-3-methyloct-1-yne
CID 59216928
lithium;butoxy(2,3-dimethylbutan-2-yl)silane;hydride
CID 174817482
2,3-dimethylbutan-2-yl(pent-4-ynoxy)silane
CID 173014028
bromomethyl-dimethyl-oct-1-yn-3-yloxysilane
CID 10333708
2,3-dimethylbutan-2-yl(ethoxy)silane
CID 123706979
ethyl oct-1-yn-3-yl carbonate
CID 15190953

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yl(oct-1-yn-3-yloxy)silane?
The IUPAC name of 2,3-dimethylbutan-2-yl(oct-1-yn-3-yloxy)silane (CID 123893001) is 2,3-dimethylbutan-2-yl(oct-1-yn-3-yloxy)silane.
What is the SMILES notation for 2,3-dimethylbutan-2-yl(oct-1-yn-3-yloxy)silane?
The canonical SMILES for 2,3-dimethylbutan-2-yl(oct-1-yn-3-yloxy)silane is C#CC(CCCCC)O[SiH2]C(C)(C)C(C)C.
What is the InChIKey of 2,3-dimethylbutan-2-yl(oct-1-yn-3-yloxy)silane?
The InChIKey is HEZOGIQJJKTBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-7-9-10-11-13(8-2)15-16-14(5,6)12(3)4/h2,12-13H,7,9-11,16H2,1,3-6H3.
What are the key properties of 2,3-dimethylbutan-2-yl(oct-1-yn-3-yloxy)silane?
2,3-dimethylbutan-2-yl(oct-1-yn-3-yloxy)silane has a molecular weight of 240.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yl(oct-1-yn-3-yloxy)silane is sourced from PubChem (CID 123893001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).