1-butoxypropan-2-yloxy-tert-butyl-dimethylsilane

C13H30O2Si — CID 91697262

IUPAC1-butoxypropan-2-yloxy-tert-butyl-dimethylsilane
SMILESCCCCOCC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O2Si/c1-8-9-10-14-11-12(2)15-16(6,7)13(3,4)5/h12H,8-11H2,1-7H3
InChIKeyNLHITSQOPOSDOK-UHFFFAOYSA-N
MW246.47 g/mol
LogP4.21
Rot. Bonds7

About 1-butoxypropan-2-yloxy-tert-butyl-dimethylsilane

1-butoxypropan-2-yloxy-tert-butyl-dimethylsilane (PubChem CID 91697262) has the molecular formula C13H30O2Si and a molecular weight of 246.47 g/mol. Its IUPAC name is 1-butoxypropan-2-yloxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1-butoxypropan-2-yloxy-tert-butyl-dimethylsilane
PubChem CID91697262
Molecular FormulaC13H30O2Si
Molecular Weight246.47 g/mol
Exact Mass246.20
IUPAC Name1-butoxypropan-2-yloxy-tert-butyl-dimethylsilane
SMILESCCCCOCC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O2Si/c1-8-9-10-14-11-12(2)15-16(6,7)13(3,4)5/h12H,8-11H2,1-7H3
InChIKeyNLHITSQOPOSDOK-UHFFFAOYSA-N
XLogP4.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
2-[tert-butyl(dimethyl)silyl]oxy-3-dodecoxypropanenitrile
CID 152762097
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
2-[tert-butyl(dimethyl)silyl]oxy-3-dodecoxypropanethioamide
CID 90318368
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(8-octylsulfanyloctoxy)propan-1-ol
CID 162458935
azane;butoxy-tert-butyl-dimethylsilane
CID 87971025
lithium tert-butyl-dimethyl-[(2R)-pentan-2-yl]oxysilane
CID 177428939
(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine
CID 15632282
(2S)-1-butoxypropan-2-ol
CID 54289557
tert-butyl-(4-iodobutan-2-yloxy)-dimethylsilane
CID 11130810
1-(2-hexoxypropoxy)hexane
CID 71353992

Frequently Asked Questions

What is the IUPAC name of 1-butoxypropan-2-yloxy-tert-butyl-dimethylsilane?
The IUPAC name of 1-butoxypropan-2-yloxy-tert-butyl-dimethylsilane (CID 91697262) is 1-butoxypropan-2-yloxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1-butoxypropan-2-yloxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1-butoxypropan-2-yloxy-tert-butyl-dimethylsilane is CCCCOCC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-butoxypropan-2-yloxy-tert-butyl-dimethylsilane?
The InChIKey is NLHITSQOPOSDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O2Si/c1-8-9-10-14-11-12(2)15-16(6,7)13(3,4)5/h12H,8-11H2,1-7H3.
What are the key properties of 1-butoxypropan-2-yloxy-tert-butyl-dimethylsilane?
1-butoxypropan-2-yloxy-tert-butyl-dimethylsilane has a molecular weight of 246.47 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxypropan-2-yloxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 91697262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).