2-butoxyethynyl(trimethyl)silane

C9H18OSi — CID 12548259

IUPAC2-butoxyethynyl(trimethyl)silane
SMILESCCCCOC#C[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-5-6-7-10-8-9-11(2,3)4/h5-7H2,1-4H3
InChIKeyBDLNZKGYUSUFKD-UHFFFAOYSA-N
MW170.33 g/mol
LogP2.64
Rot. Bonds3

About 2-butoxyethynyl(trimethyl)silane

2-butoxyethynyl(trimethyl)silane (PubChem CID 12548259) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is 2-butoxyethynyl(trimethyl)silane.

Molecular Properties

Compound Name2-butoxyethynyl(trimethyl)silane
PubChem CID12548259
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Name2-butoxyethynyl(trimethyl)silane
SMILESCCCCOC#C[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-5-6-7-10-8-9-11(2,3)4/h5-7H2,1-4H3
InChIKeyBDLNZKGYUSUFKD-UHFFFAOYSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 52.64
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

Butoxy(triethyl)silane
CID 525735
(3-Methoxypropyl)trimethylsilane
CID 23532216
(3-Ethoxy-propyl)-trimethyl-silane
CID 20650098
1-Triisopropylsilyloxybutane
CID 604346
Silane, (butoxymethyl)trimethyl-
CID 552728
Bis(2-ethoxyethynyl)-dimethylsilane
CID 15004646
Bis(3-trimethylsilyl-2-propynyl)ether
CID 10857545
Silane, trimethyl[2-(2-propynyloxy)ethyl]-
CID 11019121
3-Methoxyprop-1-ynyl-tri(propan-2-yl)silane
CID 11543143
Diethyl-butoxysilane
CID 18358687
4-Ethoxybutyl-fluoro-dimethylsilane
CID 89675133
Fluoro-(4-methoxybutyl)-dimethylsilane
CID 89675192

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethynyl(trimethyl)silane?
The IUPAC name of 2-butoxyethynyl(trimethyl)silane (CID 12548259) is 2-butoxyethynyl(trimethyl)silane.
What is the SMILES notation for 2-butoxyethynyl(trimethyl)silane?
The canonical SMILES for 2-butoxyethynyl(trimethyl)silane is CCCCOC#C[Si](C)(C)C.
What is the InChIKey of 2-butoxyethynyl(trimethyl)silane?
The InChIKey is BDLNZKGYUSUFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OSi/c1-5-6-7-10-8-9-11(2,3)4/h5-7H2,1-4H3.
What are the key properties of 2-butoxyethynyl(trimethyl)silane?
2-butoxyethynyl(trimethyl)silane has a molecular weight of 170.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethynyl(trimethyl)silane is sourced from PubChem (CID 12548259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).