tri(propan-2-yl)-[(3R,4R)-3,4,5-trimethylhex-5-en-1-ynoxy]silane

C18H34OSi — CID 101352754

IUPACtri(propan-2-yl)-[(3R,4R)-3,4,5-trimethylhex-5-en-1-ynoxy]silane
SMILESC=C(C)[C@H](C)[C@@H](C)C#CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34OSi/c1-13(2)18(10)17(9)11-12-19-20(14(3)4,15(5)6)16(7)8/h14-18H,1H2,2-10H3/t17-,18-/m0/s1
InChIKeyIRAMNLDQZVKCAO-ROUUACIJSA-N
MW294.56 g/mol
LogP5.99
Rot. Bonds6

About tri(propan-2-yl)-[(3R,4R)-3,4,5-trimethylhex-5-en-1-ynoxy]silane

tri(propan-2-yl)-[(3R,4R)-3,4,5-trimethylhex-5-en-1-ynoxy]silane (PubChem CID 101352754) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is tri(propan-2-yl)-[(3R,4R)-3,4,5-trimethylhex-5-en-1-ynoxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(3R,4R)-3,4,5-trimethylhex-5-en-1-ynoxy]silane
PubChem CID101352754
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Nametri(propan-2-yl)-[(3R,4R)-3,4,5-trimethylhex-5-en-1-ynoxy]silane
SMILESC=C(C)[C@H](C)[C@@H](C)C#CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34OSi/c1-13(2)18(10)17(9)11-12-19-20(14(3)4,15(5)6)16(7)8/h14-18H,1H2,2-10H3/t17-,18-/m0/s1
InChIKeyIRAMNLDQZVKCAO-ROUUACIJSA-N
XLogP5.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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
[(5-Methyl-3-propylhex-5-en-1-yn-1-yl)oxy]tri(propan-2-yl)silane
CID 71403487
3,5-Dimethylhex-5-en-1-ynoxy-tri(propan-2-yl)silane
CID 102289114
tert-butyl-dimethyl-[(6R)-6-prop-1-en-2-yldeca-1,2-dien-8-yn-3-yl]oxysilane
CID 102486594

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(3R,4R)-3,4,5-trimethylhex-5-en-1-ynoxy]silane?
The IUPAC name of tri(propan-2-yl)-[(3R,4R)-3,4,5-trimethylhex-5-en-1-ynoxy]silane (CID 101352754) is tri(propan-2-yl)-[(3R,4R)-3,4,5-trimethylhex-5-en-1-ynoxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[(3R,4R)-3,4,5-trimethylhex-5-en-1-ynoxy]silane?
The canonical SMILES for tri(propan-2-yl)-[(3R,4R)-3,4,5-trimethylhex-5-en-1-ynoxy]silane is C=C(C)[C@H](C)[C@@H](C)C#CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[(3R,4R)-3,4,5-trimethylhex-5-en-1-ynoxy]silane?
The InChIKey is IRAMNLDQZVKCAO-ROUUACIJSA-N. The full InChI is InChI=1S/C18H34OSi/c1-13(2)18(10)17(9)11-12-19-20(14(3)4,15(5)6)16(7)8/h14-18H,1H2,2-10H3/t17-,18-/m0/s1.
What are the key properties of tri(propan-2-yl)-[(3R,4R)-3,4,5-trimethylhex-5-en-1-ynoxy]silane?
tri(propan-2-yl)-[(3R,4R)-3,4,5-trimethylhex-5-en-1-ynoxy]silane has a molecular weight of 294.56 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[(3R,4R)-3,4,5-trimethylhex-5-en-1-ynoxy]silane is sourced from PubChem (CID 101352754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).