dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-(3,3,3-trifluoropropyl)silane

C13H21F3O2Si — CID 22717494

IUPACdimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-(3,3,3-trifluoropropyl)silane
SMILESC[Si](C)(C#CCOC1CCCCO1)CCC(F)(F)F
InChIInChI=1S/C13H21F3O2Si/c1-19(2,11-7-13(14,15)16)10-5-9-18-12-6-3-4-8-17-12/h12H,3-4,6-9,11H2,1-2H3
InChIKeyJCQKKABGPPNCJZ-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.73
Rot. Bonds4

About dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-(3,3,3-trifluoropropyl)silane

dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-(3,3,3-trifluoropropyl)silane (PubChem CID 22717494) has the molecular formula C13H21F3O2Si and a molecular weight of 294.39 g/mol. Its IUPAC name is dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namedimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-(3,3,3-trifluoropropyl)silane
PubChem CID22717494
Molecular FormulaC13H21F3O2Si
Molecular Weight294.39 g/mol
Exact Mass294.13
IUPAC Namedimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-(3,3,3-trifluoropropyl)silane
SMILESC[Si](C)(C#CCOC1CCCCO1)CCC(F)(F)F
InChIInChI=1S/C13H21F3O2Si/c1-19(2,11-7-13(14,15)16)10-5-9-18-12-6-3-4-8-17-12/h12H,3-4,6-9,11H2,1-2H3
InChIKeyJCQKKABGPPNCJZ-UHFFFAOYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-(3,3,3-trifluoropropyl)silane
CID 22717499
2-hex-2-ynoxyoxane
CID 11041365
2-(4-ethoxybut-2-ynoxy)oxane
CID 68529463
2-(7,7,7-trimethoxyhept-2-ynoxy)oxane
CID 71335420
2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane
CID 160655550
2-[3-(4-fluoro-3-methylphenyl)prop-2-ynoxy]oxane
CID 59407505
2-dodeca-2,7-diynoxyoxane
CID 57283725
2-(4-bromo-4,4-difluorobut-2-ynoxy)oxane;methane;2-prop-2-ynoxyoxane
CID 158983058
trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840
2-[2-(4,4,4-trifluorobutoxy)ethoxy]oxane
CID 150396378
(2R)-2-(6-iodohex-2-ynoxy)oxane
CID 124672395
2-(6-bromohex-2-ynoxy)oxane
CID 10801356

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-(3,3,3-trifluoropropyl)silane?
The IUPAC name of dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-(3,3,3-trifluoropropyl)silane (CID 22717494) is dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-(3,3,3-trifluoropropyl)silane is C[Si](C)(C#CCOC1CCCCO1)CCC(F)(F)F.
What is the InChIKey of dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-(3,3,3-trifluoropropyl)silane?
The InChIKey is JCQKKABGPPNCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3O2Si/c1-19(2,11-7-13(14,15)16)10-5-9-18-12-6-3-4-8-17-12/h12H,3-4,6-9,11H2,1-2H3.
What are the key properties of dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-(3,3,3-trifluoropropyl)silane?
dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-(3,3,3-trifluoropropyl)silane has a molecular weight of 294.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 22717494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).