[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane

C23H40O2Si — CID 138963665

IUPAC[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane
SMILESC/C(=C\COC1CCCCO1)CC/C=C(\C)CCCCC#C[Si](C)(C)C
InChIInChI=1S/C23H40O2Si/c1-21(13-8-6-7-11-20-26(3,4)5)14-12-15-22(2)17-19-25-23-16-9-10-18-24-23/h14,17,23H,6-10,12-13,15-16,18-19H2,1-5H3/b21-14+,22-17+
InChIKeyDCFNCSHLQNUPSP-XBVDJSGXSA-N
MW376.66 g/mol
LogP6.64
Rot. Bonds10

About [(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane

[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane (PubChem CID 138963665) has the molecular formula C23H40O2Si and a molecular weight of 376.66 g/mol. Its IUPAC name is [(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane
PubChem CID138963665
Molecular FormulaC23H40O2Si
Molecular Weight376.66 g/mol
Exact Mass376.28
IUPAC Name[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane
SMILESC/C(=C\COC1CCCCO1)CC/C=C(\C)CCCCC#C[Si](C)(C)C
InChIInChI=1S/C23H40O2Si/c1-21(13-8-6-7-11-20-26(3,4)5)14-12-15-22(2)17-19-25-23-16-9-10-18-24-23/h14,17,23H,6-10,12-13,15-16,18-19H2,1-5H3/b21-14+,22-17+
InChIKeyDCFNCSHLQNUPSP-XBVDJSGXSA-N
XLogP6.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.66
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze [(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane with MolForge

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Related Compounds

tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane
CID 10928713
[(2E,6Z)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] acetate
CID 10469860
2,7,11-trimethyl-13-(oxan-2-yloxy)trideca-2,7,11-trien-4-one
CID 54387343
7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-yn-4-ol
CID 54406454
2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol
CID 70162877
2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane
CID 56851675
2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane
CID 25227676
2-[(2E,6E)-3,7-dimethyl-8-[2-(2-methylprop-1-enyl)-1,3-dithian-2-yl]octa-2,6-dienoxy]oxane
CID 23726956
(Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 59748857
(2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
CID 122523167
(2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane
CID 93475878
3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-3-ol
CID 67848539

Frequently Asked Questions

What is the IUPAC name of [(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane?
The IUPAC name of [(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane (CID 138963665) is [(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane?
The canonical SMILES for [(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane is C/C(=C\COC1CCCCO1)CC/C=C(\C)CCCCC#C[Si](C)(C)C.
What is the InChIKey of [(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane?
The InChIKey is DCFNCSHLQNUPSP-XBVDJSGXSA-N. The full InChI is InChI=1S/C23H40O2Si/c1-21(13-8-6-7-11-20-26(3,4)5)14-12-15-22(2)17-19-25-23-16-9-10-18-24-23/h14,17,23H,6-10,12-13,15-16,18-19H2,1-5H3/b21-14+,22-17+.
What are the key properties of [(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane?
[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane has a molecular weight of 376.66 g/mol, XLogP of 6.64, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane is sourced from PubChem (CID 138963665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).