[3-methyl-3-(2-methylprop-2-enyl)oct-1-ynoxy]-tri(propan-2-yl)silane

C22H42OSi — CID 101352755

IUPAC[3-methyl-3-(2-methylprop-2-enyl)oct-1-ynoxy]-tri(propan-2-yl)silane
SMILESC=C(C)CC(C)(C#CO[Si](C(C)C)(C(C)C)C(C)C)CCCCC
InChIInChI=1S/C22H42OSi/c1-11-12-13-14-22(10,17-18(2)3)15-16-23-24(19(4)5,20(6)7)21(8)9/h19-21H,2,11-14,17H2,1,3-10H3
InChIKeyRMWFCJNYLJXXPQ-UHFFFAOYSA-N
MW350.66 g/mol
LogP7.69
Rot. Bonds10

About [3-methyl-3-(2-methylprop-2-enyl)oct-1-ynoxy]-tri(propan-2-yl)silane

[3-methyl-3-(2-methylprop-2-enyl)oct-1-ynoxy]-tri(propan-2-yl)silane (PubChem CID 101352755) has the molecular formula C22H42OSi and a molecular weight of 350.66 g/mol. Its IUPAC name is [3-methyl-3-(2-methylprop-2-enyl)oct-1-ynoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-methyl-3-(2-methylprop-2-enyl)oct-1-ynoxy]-tri(propan-2-yl)silane
PubChem CID101352755
Molecular FormulaC22H42OSi
Molecular Weight350.66 g/mol
Exact Mass350.30
IUPAC Name[3-methyl-3-(2-methylprop-2-enyl)oct-1-ynoxy]-tri(propan-2-yl)silane
SMILESC=C(C)CC(C)(C#CO[Si](C(C)C)(C(C)C)C(C)C)CCCCC
InChIInChI=1S/C22H42OSi/c1-11-12-13-14-22(10,17-18(2)3)15-16-23-24(19(4)5,20(6)7)21(8)9/h19-21H,2,11-14,17H2,1,3-10H3
InChIKeyRMWFCJNYLJXXPQ-UHFFFAOYSA-N
XLogP7.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.66
LogP ≤ 57.69
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-Methylidenecyclopentyl)but-1-ynoxy-tri(propan-2-yl)silane
CID 11324238
[3-Methyl-3-(2-methylprop-2-enyl)oct-7-en-1-ynoxy]-tri(propan-2-yl)silane
CID 11405343
Trimethyl-[2-methylidene-4-[2-tri(propan-2-yl)silyloxyethynyl]heptyl]silane
CID 11474488
[(5-Methyl-3-propylhex-5-en-1-yn-1-yl)oxy]tri(propan-2-yl)silane
CID 71403487
Tert-butyl-dimethyl-[2-methyl-2-(2-methylprop-2-enyl)dec-3-ynoxy]silane
CID 101400084
CID 87248127
CID 87248127
2-[Dimethyl(propan-2-yl)silyl]oxypropan-2-yl-[2-[dimethyl(3,5,5,7-tetramethyloct-7-en-3-yl)silyl]butan-2-yloxy]-dimethylsilane
CID 123246322

Frequently Asked Questions

What is the IUPAC name of [3-methyl-3-(2-methylprop-2-enyl)oct-1-ynoxy]-tri(propan-2-yl)silane?
The IUPAC name of [3-methyl-3-(2-methylprop-2-enyl)oct-1-ynoxy]-tri(propan-2-yl)silane (CID 101352755) is [3-methyl-3-(2-methylprop-2-enyl)oct-1-ynoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [3-methyl-3-(2-methylprop-2-enyl)oct-1-ynoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [3-methyl-3-(2-methylprop-2-enyl)oct-1-ynoxy]-tri(propan-2-yl)silane is C=C(C)CC(C)(C#CO[Si](C(C)C)(C(C)C)C(C)C)CCCCC.
What is the InChIKey of [3-methyl-3-(2-methylprop-2-enyl)oct-1-ynoxy]-tri(propan-2-yl)silane?
The InChIKey is RMWFCJNYLJXXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42OSi/c1-11-12-13-14-22(10,17-18(2)3)15-16-23-24(19(4)5,20(6)7)21(8)9/h19-21H,2,11-14,17H2,1,3-10H3.
What are the key properties of [3-methyl-3-(2-methylprop-2-enyl)oct-1-ynoxy]-tri(propan-2-yl)silane?
[3-methyl-3-(2-methylprop-2-enyl)oct-1-ynoxy]-tri(propan-2-yl)silane has a molecular weight of 350.66 g/mol, XLogP of 7.69, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-3-(2-methylprop-2-enyl)oct-1-ynoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 101352755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).