3,4,4-trimethylpent-1-yn-3-yloxysilane

C8H16OSi — CID 173003826

IUPAC3,4,4-trimethylpent-1-yn-3-yloxysilane
SMILESC#CC(C)(O[SiH3])C(C)(C)C
InChIInChI=1S/C8H16OSi/c1-6-8(5,9-10)7(2,3)4/h1H,2-5,10H3
InChIKeyAOZPSQQDQWYAOO-UHFFFAOYSA-N
MW156.30 g/mol
LogP0.72
Rot. Bonds1

About 3,4,4-trimethylpent-1-yn-3-yloxysilane

3,4,4-trimethylpent-1-yn-3-yloxysilane (PubChem CID 173003826) has the molecular formula C8H16OSi and a molecular weight of 156.30 g/mol. Its IUPAC name is 3,4,4-trimethylpent-1-yn-3-yloxysilane.

Molecular Properties

Compound Name3,4,4-trimethylpent-1-yn-3-yloxysilane
PubChem CID173003826
Molecular FormulaC8H16OSi
Molecular Weight156.30 g/mol
Exact Mass156.10
IUPAC Name3,4,4-trimethylpent-1-yn-3-yloxysilane
SMILESC#CC(C)(O[SiH3])C(C)(C)C
InChIInChI=1S/C8H16OSi/c1-6-8(5,9-10)7(2,3)4/h1H,2-5,10H3
InChIKeyAOZPSQQDQWYAOO-UHFFFAOYSA-N
XLogP0.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.30
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

O-(1,1,1-trifluoro-2-methylbut-3-yn-2-yl)hydroxylamine
CID 118134898
2,3,3-trimethylbutan-2-yloxysilane
CID 123420787
cobalt;3,3-dimethylbut-1-yne;methanone
CID 175068108
3,3-dimethylbut-1-yne chloride
CID 131726738
(3R)-3,4,4-trimethylpent-1-yn-3-ol
CID 6994055
1,1-dichloroethoxysilane
CID 123382571
CID 153489914
CID 153489914
actinium;2-methylbut-3-yn-2-ol
CID 22980385
diethynyl-bis[(2-methylpropan-2-yl)oxy]silane
CID 18410620
2,3-difluoropent-4-yne-2,3-diol
CID 91222968
[(3R)-2,2,3-trimethylpentan-3-yl]oxysilane
CID 173401924
silyl 2-ethyl-2-ethynylbut-3-ynoate
CID 123459846

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethylpent-1-yn-3-yloxysilane?
The IUPAC name of 3,4,4-trimethylpent-1-yn-3-yloxysilane (CID 173003826) is 3,4,4-trimethylpent-1-yn-3-yloxysilane.
What is the SMILES notation for 3,4,4-trimethylpent-1-yn-3-yloxysilane?
The canonical SMILES for 3,4,4-trimethylpent-1-yn-3-yloxysilane is C#CC(C)(O[SiH3])C(C)(C)C.
What is the InChIKey of 3,4,4-trimethylpent-1-yn-3-yloxysilane?
The InChIKey is AOZPSQQDQWYAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OSi/c1-6-8(5,9-10)7(2,3)4/h1H,2-5,10H3.
What are the key properties of 3,4,4-trimethylpent-1-yn-3-yloxysilane?
3,4,4-trimethylpent-1-yn-3-yloxysilane has a molecular weight of 156.30 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethylpent-1-yn-3-yloxysilane is sourced from PubChem (CID 173003826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).