3-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-1-en-2-yl-trimethylsilane

C18H30OSi — CID 23181319

IUPAC3-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-1-en-2-yl-trimethylsilane
SMILESC#CC/C=C(\C)CC/C=C(\C)COCC(=C)[Si](C)(C)C
InChIInChI=1S/C18H30OSi/c1-8-9-11-16(2)12-10-13-17(3)14-19-15-18(4)20(5,6)7/h1,11,13H,4,9-10,12,14-15H2,2-3,5-7H3/b16-11+,17-13+
InChIKeyJLKUSUHTTCVOQB-IUBLYSDUSA-N
MW290.52 g/mol
LogP5.13
Rot. Bonds9

About 3-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-1-en-2-yl-trimethylsilane

3-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-1-en-2-yl-trimethylsilane (PubChem CID 23181319) has the molecular formula C18H30OSi and a molecular weight of 290.52 g/mol. Its IUPAC name is 3-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-1-en-2-yl-trimethylsilane.

Molecular Properties

Compound Name3-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-1-en-2-yl-trimethylsilane
PubChem CID23181319
Molecular FormulaC18H30OSi
Molecular Weight290.52 g/mol
Exact Mass290.21
IUPAC Name3-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-1-en-2-yl-trimethylsilane
SMILESC#CC/C=C(\C)CC/C=C(\C)COCC(=C)[Si](C)(C)C
InChIInChI=1S/C18H30OSi/c1-8-9-11-16(2)12-10-13-17(3)14-19-15-18(4)20(5,6)7/h1,11,13H,4,9-10,12,14-15H2,2-3,5-7H3/b16-11+,17-13+
InChIKeyJLKUSUHTTCVOQB-IUBLYSDUSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.52
LogP ≤ 55.13
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

Farnesylpropargylether
CID 85784860
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tert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane
CID 134866068
[(4Z,7Z)-9-ethoxynona-4,7-dien-1-ynyl]-trimethylsilane
CID 59977341
2-(3,6-dihydro-2H-pyran-4-yl)ethynyl-trimethylsilane
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tert-butyl-dimethyl-[(E)-3-methyloct-2-en-7-ynoxy]silane
CID 10243953
[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten
CID 11093097
tert-butyl-[(2E,6E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane
CID 11151375
[(E)-2-methylhept-2-en-6-ynoxy]-tri(propan-2-yl)silane
CID 11637719
tert-butyl-dimethyl-[(E)-3-methylhept-2-en-6-ynoxy]silane
CID 11806718
tert-butyl-[(2E,6E)-3,7-dimethyl-8-prop-2-ynoxyocta-2,6-dienoxy]-dimethylsilane
CID 13820175
tert-butyl-dimethyl-[[(7E,11E,15E)-8,12,16-trimethyl-1-oxacycloheptadeca-7,11,15-trien-3-yn-6-yl]oxy]silane
CID 14138487

Frequently Asked Questions

What is the IUPAC name of 3-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-1-en-2-yl-trimethylsilane?
The IUPAC name of 3-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-1-en-2-yl-trimethylsilane (CID 23181319) is 3-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-1-en-2-yl-trimethylsilane.
What is the SMILES notation for 3-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-1-en-2-yl-trimethylsilane?
The canonical SMILES for 3-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-1-en-2-yl-trimethylsilane is C#CC/C=C(\C)CC/C=C(\C)COCC(=C)[Si](C)(C)C.
What is the InChIKey of 3-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-1-en-2-yl-trimethylsilane?
The InChIKey is JLKUSUHTTCVOQB-IUBLYSDUSA-N. The full InChI is InChI=1S/C18H30OSi/c1-8-9-11-16(2)12-10-13-17(3)14-19-15-18(4)20(5,6)7/h1,11,13H,4,9-10,12,14-15H2,2-3,5-7H3/b16-11+,17-13+.
What are the key properties of 3-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-1-en-2-yl-trimethylsilane?
3-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-1-en-2-yl-trimethylsilane has a molecular weight of 290.52 g/mol, XLogP of 5.13, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-1-en-2-yl-trimethylsilane is sourced from PubChem (CID 23181319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).