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

C15H22O3Si — CID 134976827

IUPAC2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5H-oxasilole
SMILESC=C(C#CC1=CCO[Si]1(C)C)COC1CCCCO1
InChIInChI=1S/C15H22O3Si/c1-13(12-17-15-6-4-5-10-16-15)7-8-14-9-11-18-19(14,2)3/h9,15H,1,4-6,10-12H2,2-3H3
InChIKeyJTJAANLZGOEWOD-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.79
Rot. Bonds3

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

2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5H-oxasilole (PubChem CID 134976827) has the molecular formula C15H22O3Si and a molecular weight of 278.42 g/mol. Its IUPAC name is 2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5H-oxasilole.

Molecular Properties

Compound Name2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5H-oxasilole
PubChem CID134976827
Molecular FormulaC15H22O3Si
Molecular Weight278.42 g/mol
Exact Mass278.13
IUPAC Name2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5H-oxasilole
SMILESC=C(C#CC1=CCO[Si]1(C)C)COC1CCCCO1
InChIInChI=1S/C15H22O3Si/c1-13(12-17-15-6-4-5-10-16-15)7-8-14-9-11-18-19(14,2)3/h9,15H,1,4-6,10-12H2,2-3H3
InChIKeyJTJAANLZGOEWOD-UHFFFAOYSA-N
XLogP2.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.79
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-[(Z)-3-methylpent-2-en-4-ynoxy]oxane
CID 11063007
2-[(E)-3-methylpent-2-en-4-ynoxy]oxane
CID 14733015
tert-butyl-[(E,2S)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane
CID 11210861
hydroxy-dimethyl-[(Z)-4-(oxan-2-yloxy)but-2-en-2-yl]silane
CID 102509921
hydroxy-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-en-2-yl]silane
CID 102509935
tert-butyl-[(E,2R)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane
CID 134866404
2-[(E)-5-butyltellanyl-3-methylpent-2-en-4-ynoxy]oxane
CID 134894042
2,2-Dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5,6-dihydrooxasiline
CID 134976992
2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-6,7-dihydro-5H-oxasilepine
CID 134976993
Tert-butyl-[5-iodo-6-(3-methylbut-2-enoxy)oxan-2-yl]oxy-dimethylsilane
CID 162406290
trimethyl-[(E)-2-methylidene-9-(oxan-2-yloxy)non-5-en-3,7-diynyl]silane
CID 15207685
Tert-butyl-dimethyl-[2-(oxan-2-yloxymethyl)prop-2-enoxy]silane
CID 54390481

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5H-oxasilole?
The IUPAC name of 2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5H-oxasilole (CID 134976827) is 2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5H-oxasilole.
What is the SMILES notation for 2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5H-oxasilole?
The canonical SMILES for 2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5H-oxasilole is C=C(C#CC1=CCO[Si]1(C)C)COC1CCCCO1.
What is the InChIKey of 2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5H-oxasilole?
The InChIKey is JTJAANLZGOEWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3Si/c1-13(12-17-15-6-4-5-10-16-15)7-8-14-9-11-18-19(14,2)3/h9,15H,1,4-6,10-12H2,2-3H3.
What are the key properties of 2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5H-oxasilole?
2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5H-oxasilole has a molecular weight of 278.42 g/mol, XLogP of 2.79, 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]-5H-oxasilole is sourced from PubChem (CID 134976827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).