tri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane

C27H48OSi — CID 134875143

IUPACtri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane
SMILESC#CCC(/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H48OSi/c1-12-15-27(28-29(22(4)5,23(6)7)24(8)9)20-26(11)19-14-18-25(10)17-13-16-21(2)3/h1,16,18,20,22-24,27H,13-15,17,19H2,2-11H3/b25-18+,26-20+
InChIKeyLPNUKEJQVHLZPI-ICRKYIHISA-N
MW416.77 g/mol
LogP8.99
Rot. Bonds13

About tri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane

tri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane (PubChem CID 134875143) has the molecular formula C27H48OSi and a molecular weight of 416.77 g/mol. Its IUPAC name is tri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane
PubChem CID134875143
Molecular FormulaC27H48OSi
Molecular Weight416.77 g/mol
Exact Mass416.35
IUPAC Nametri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane
SMILESC#CCC(/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H48OSi/c1-12-15-27(28-29(22(4)5,23(6)7)24(8)9)20-26(11)19-14-18-25(10)17-13-16-21(2)3/h1,16,18,20,22-24,27H,13-15,17,19H2,2-11H3/b25-18+,26-20+
InChIKeyLPNUKEJQVHLZPI-ICRKYIHISA-N
XLogP8.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.77
LogP ≤ 58.99
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

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[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxy-dimethyl-prop-2-enylsilane
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6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline
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2-Tripropylsilyloxyoct-3-ene
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2-Tributylsilyloxyoct-3-ene
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Nerol, tert-butyldimethylsilyl ether
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Geranylgeraniol, TBDMS derivative
CID 11112251
[(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane
CID 11472396
(6S)-6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline
CID 11651317

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane?
The IUPAC name of tri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane (CID 134875143) is tri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane.
What is the SMILES notation for tri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane?
The canonical SMILES for tri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane is C#CCC(/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane?
The InChIKey is LPNUKEJQVHLZPI-ICRKYIHISA-N. The full InChI is InChI=1S/C27H48OSi/c1-12-15-27(28-29(22(4)5,23(6)7)24(8)9)20-26(11)19-14-18-25(10)17-13-16-21(2)3/h1,16,18,20,22-24,27H,13-15,17,19H2,2-11H3/b25-18+,26-20+.
What are the key properties of tri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane?
tri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane has a molecular weight of 416.77 g/mol, XLogP of 8.99, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane is sourced from PubChem (CID 134875143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).