[3-methyl-3-(2-methylprop-2-enyl)oct-7-en-1-ynoxy]-tri(propan-2-yl)silane

C22H40OSi — CID 11405343

IUPAC[3-methyl-3-(2-methylprop-2-enyl)oct-7-en-1-ynoxy]-tri(propan-2-yl)silane
SMILESC=CCCCC(C)(C#CO[Si](C(C)C)(C(C)C)C(C)C)CC(=C)C
InChIInChI=1S/C22H40OSi/c1-11-12-13-14-22(10,17-18(2)3)15-16-23-24(19(4)5,20(6)7)21(8)9/h11,19-21H,1-2,12-14,17H2,3-10H3
InChIKeyQZVPGBSJJZXXIB-UHFFFAOYSA-N
MW348.65 g/mol
LogP7.47
Rot. Bonds10

About [3-methyl-3-(2-methylprop-2-enyl)oct-7-en-1-ynoxy]-tri(propan-2-yl)silane

[3-methyl-3-(2-methylprop-2-enyl)oct-7-en-1-ynoxy]-tri(propan-2-yl)silane (PubChem CID 11405343) has the molecular formula C22H40OSi and a molecular weight of 348.65 g/mol. Its IUPAC name is [3-methyl-3-(2-methylprop-2-enyl)oct-7-en-1-ynoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-methyl-3-(2-methylprop-2-enyl)oct-7-en-1-ynoxy]-tri(propan-2-yl)silane
PubChem CID11405343
Molecular FormulaC22H40OSi
Molecular Weight348.65 g/mol
Exact Mass348.28
IUPAC Name[3-methyl-3-(2-methylprop-2-enyl)oct-7-en-1-ynoxy]-tri(propan-2-yl)silane
SMILESC=CCCCC(C)(C#CO[Si](C(C)C)(C(C)C)C(C)C)CC(=C)C
InChIInChI=1S/C22H40OSi/c1-11-12-13-14-22(10,17-18(2)3)15-16-23-24(19(4)5,20(6)7)21(8)9/h11,19-21H,1-2,12-14,17H2,3-10H3
InChIKeyQZVPGBSJJZXXIB-UHFFFAOYSA-N
XLogP7.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.65
LogP ≤ 57.47
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

tri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane
CID 10968867
4-(2-Methylidenecyclopentyl)but-1-ynoxy-tri(propan-2-yl)silane
CID 11324238
Trimethyl-[2-methylidene-4-[2-tri(propan-2-yl)silyloxyethynyl]heptyl]silane
CID 11474488
Triethyl(5-prop-1-ynyldeca-1,9-dien-5-yloxy)silane
CID 11748805
Triethyl(6-prop-1-ynylundeca-1,10-dien-6-yloxy)silane
CID 14936189
[(5-Methyl-3-propylhex-5-en-1-yn-1-yl)oxy]tri(propan-2-yl)silane
CID 71403487
[3-Methyl-3-(2-methylprop-2-enyl)oct-1-ynoxy]-tri(propan-2-yl)silane
CID 101352755
CID 87248127
CID 87248127
[(4R,6S)-4,6-ditert-butyloct-7-en-1-ynoxy]-dimethylsilane
CID 123559411
5-(3,3-Dimethylbut-1-ynyl)nona-1,8-dien-5-yloxy-triethylsilane
CID 10520755
Silane, [[1-(3-butenyl)-1-(1-propynyl)-4-pentenyl]oxy]triethyl-
CID 11077210
Triethyl-(2-methyl-5-prop-1-ynyldeca-1,9-dien-5-yl)oxysilane
CID 11141761

Frequently Asked Questions

What is the IUPAC name of [3-methyl-3-(2-methylprop-2-enyl)oct-7-en-1-ynoxy]-tri(propan-2-yl)silane?
The IUPAC name of [3-methyl-3-(2-methylprop-2-enyl)oct-7-en-1-ynoxy]-tri(propan-2-yl)silane (CID 11405343) is [3-methyl-3-(2-methylprop-2-enyl)oct-7-en-1-ynoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [3-methyl-3-(2-methylprop-2-enyl)oct-7-en-1-ynoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [3-methyl-3-(2-methylprop-2-enyl)oct-7-en-1-ynoxy]-tri(propan-2-yl)silane is C=CCCCC(C)(C#CO[Si](C(C)C)(C(C)C)C(C)C)CC(=C)C.
What is the InChIKey of [3-methyl-3-(2-methylprop-2-enyl)oct-7-en-1-ynoxy]-tri(propan-2-yl)silane?
The InChIKey is QZVPGBSJJZXXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40OSi/c1-11-12-13-14-22(10,17-18(2)3)15-16-23-24(19(4)5,20(6)7)21(8)9/h11,19-21H,1-2,12-14,17H2,3-10H3.
What are the key properties of [3-methyl-3-(2-methylprop-2-enyl)oct-7-en-1-ynoxy]-tri(propan-2-yl)silane?
[3-methyl-3-(2-methylprop-2-enyl)oct-7-en-1-ynoxy]-tri(propan-2-yl)silane has a molecular weight of 348.65 g/mol, XLogP of 7.47, 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-7-en-1-ynoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 11405343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).