tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane

C26H46O3Si — CID 15726383

IUPACtert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane
SMILESCC#CC(CC/C(C)=C/CC/C(C)=C/COC1CCCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H46O3Si/c1-9-13-24(29-30(7,8)26(4,5)6)18-17-22(2)14-12-15-23(3)19-21-28-25-16-10-11-20-27-25/h14,19,24-25H,10-12,15-18,20-21H2,1-8H3/b22-14+,23-19+
InChIKeyBIGFIVGXGCBKGT-OFMBYABZSA-N
MW434.74 g/mol
LogP7.40
Rot. Bonds11

About tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane

tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane (PubChem CID 15726383) has the molecular formula C26H46O3Si and a molecular weight of 434.74 g/mol. Its IUPAC name is tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane
PubChem CID15726383
Molecular FormulaC26H46O3Si
Molecular Weight434.74 g/mol
Exact Mass434.32
IUPAC Nametert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane
SMILESCC#CC(CC/C(C)=C/CC/C(C)=C/COC1CCCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H46O3Si/c1-9-13-24(29-30(7,8)26(4,5)6)18-17-22(2)14-12-15-23(3)19-21-28-25-16-10-11-20-27-25/h14,19,24-25H,10-12,15-18,20-21H2,1-8H3/b22-14+,23-19+
InChIKeyBIGFIVGXGCBKGT-OFMBYABZSA-N
XLogP7.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.74
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Launch Full Analysis

Related Compounds

(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-ol
CID 15726375
tert-butyl-[(E,2S)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane
CID 11210861
tert-butyl-dimethyl-[(6E,10E)-3,7,11-trimethyl-14-(oxan-2-yloxy)tetradeca-6,10-dien-1-yn-3-yl]oxysilane
CID 12000505
tert-butyl-[(1R,2R,3E,6Z)-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,4,6-trimethyl-8-(oxan-2-yloxy)octa-3,6-dienoxy]-dimethylsilane
CID 53329190
tert-butyl-[(E,2R)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane
CID 134866404
[(2S,3Z,5E)-2,4-dimethyl-6-[(2R,6R)-6-propan-2-yloxyoxan-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane
CID 134887217
tert-butyl-dimethyl-[[5-(3-methylidenehept-1-ynyl)-3,6-dihydro-2H-pyran-6-yl]oxy]silane
CID 134976296
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
triethyl-[(2E)-1-[3-(oxan-2-yloxy)prop-1-ynyl]-3-triethylsilylhexa-2,5-dienoxy]silane
CID 135066673
hydroxy-[(E)-1-(oxan-2-yloxy)oct-2-en-2-yl]-di(propan-2-yl)silane
CID 135076590
[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane
CID 138963665

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane (CID 15726383) is tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane is CC#CC(CC/C(C)=C/CC/C(C)=C/COC1CCCCO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane?
The InChIKey is BIGFIVGXGCBKGT-OFMBYABZSA-N. The full InChI is InChI=1S/C26H46O3Si/c1-9-13-24(29-30(7,8)26(4,5)6)18-17-22(2)14-12-15-23(3)19-21-28-25-16-10-11-20-27-25/h14,19,24-25H,10-12,15-18,20-21H2,1-8H3/b22-14+,23-19+.
What are the key properties of tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane?
tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane has a molecular weight of 434.74 g/mol, XLogP of 7.40, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 15726383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).