2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5,6-dihydrooxasiline

C16H24O3Si — CID 134976992

IUPAC2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5,6-dihydrooxasiline
SMILESC=C(C#CC1=CCCO[Si]1(C)C)COC1CCCCO1
InChIInChI=1S/C16H24O3Si/c1-14(13-18-16-8-4-5-11-17-16)9-10-15-7-6-12-19-20(15,2)3/h7,16H,1,4-6,8,11-13H2,2-3H3
InChIKeyNZEAIKHRYQUZQG-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.18
Rot. Bonds3

About 2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5,6-dihydrooxasiline

2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5,6-dihydrooxasiline (PubChem CID 134976992) has the molecular formula C16H24O3Si and a molecular weight of 292.45 g/mol. Its IUPAC name is 2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5,6-dihydrooxasiline.

Molecular Properties

Compound Name2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5,6-dihydrooxasiline
PubChem CID134976992
Molecular FormulaC16H24O3Si
Molecular Weight292.45 g/mol
Exact Mass292.15
IUPAC Name2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5,6-dihydrooxasiline
SMILESC=C(C#CC1=CCCO[Si]1(C)C)COC1CCCCO1
InChIInChI=1S/C16H24O3Si/c1-14(13-18-16-8-4-5-11-17-16)9-10-15-7-6-12-19-20(15,2)3/h7,16H,1,4-6,8,11-13H2,2-3H3
InChIKeyNZEAIKHRYQUZQG-UHFFFAOYSA-N
XLogP3.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5H-oxasilole
CID 134976827
2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-6,7-dihydro-5H-oxasilepine
CID 134976993
trimethyl-[(2E)-4-(oxan-2-yloxymethyl)penta-2,4-dienyl]silane
CID 134991453
[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane
CID 138963665
tert-butyl-[(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-yl]oxy-dimethylsilane
CID 15726381
tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane
CID 15726383
trimethyl-[(Z)-8-(oxan-2-yloxy)oct-5-en-1-ynyl]silane
CID 150002070
tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane
CID 10928713

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5,6-dihydrooxasiline?
The IUPAC name of 2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5,6-dihydrooxasiline (CID 134976992) is 2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5,6-dihydrooxasiline.
What is the SMILES notation for 2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5,6-dihydrooxasiline?
The canonical SMILES for 2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5,6-dihydrooxasiline is C=C(C#CC1=CCCO[Si]1(C)C)COC1CCCCO1.
What is the InChIKey of 2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5,6-dihydrooxasiline?
The InChIKey is NZEAIKHRYQUZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3Si/c1-14(13-18-16-8-4-5-11-17-16)9-10-15-7-6-12-19-20(15,2)3/h7,16H,1,4-6,8,11-13H2,2-3H3.
What are the key properties of 2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5,6-dihydrooxasiline?
2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5,6-dihydrooxasiline has a molecular weight of 292.45 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5,6-dihydrooxasiline is sourced from PubChem (CID 134976992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).