[(E)-2-methylhept-2-en-6-ynoxy]-tri(propan-2-yl)silane

C17H32OSi — CID 11637719

IUPAC[(E)-2-methylhept-2-en-6-ynoxy]-tri(propan-2-yl)silane
SMILESC#CCC/C=C(\C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32OSi/c1-9-10-11-12-17(8)13-18-19(14(2)3,15(4)5)16(6)7/h1,12,14-16H,10-11,13H2,2-8H3/b17-12+
InChIKeyAKRZISDVHYJREB-SFQUDFHCSA-N
MW280.53 g/mol
LogP5.54
Rot. Bonds8

About [(E)-2-methylhept-2-en-6-ynoxy]-tri(propan-2-yl)silane

[(E)-2-methylhept-2-en-6-ynoxy]-tri(propan-2-yl)silane (PubChem CID 11637719) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is [(E)-2-methylhept-2-en-6-ynoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-2-methylhept-2-en-6-ynoxy]-tri(propan-2-yl)silane
PubChem CID11637719
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Name[(E)-2-methylhept-2-en-6-ynoxy]-tri(propan-2-yl)silane
SMILESC#CCC/C=C(\C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32OSi/c1-9-10-11-12-17(8)13-18-19(14(2)3,15(4)5)16(6)7/h1,12,14-16H,10-11,13H2,2-8H3/b17-12+
InChIKeyAKRZISDVHYJREB-SFQUDFHCSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
trans, trans-Farnesol, trimethylsilyl ether
CID 5365996
Nerol, tert-butyldimethylsilyl ether
CID 5366885
Geranylgeraniol, TBDMS derivative
CID 11112251
tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane
CID 11438740
[(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane
CID 11472396
tert-butyl-[(2E,4Z,6R)-4-ethyl-6-methyl-9-trimethylsilylnona-2,4-dien-8-ynoxy]-dimethylsilane
CID 11653482
Tert-butyl-dimethyl-(2-methyloct-2-en-7-yn-4-yloxy)silane
CID 13789160
[(2Z,5E)-6,10-dimethyl-2-pent-4-ynylideneundeca-5,9-dienoxy]-tri(propan-2-yl)silane
CID 44238355
triethyl-[(E)-3-methyldodec-2-en-5-yn-4-yl]oxysilane
CID 46895233
tert-butyl-[(3Z,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane
CID 53359090

Frequently Asked Questions

What is the IUPAC name of [(E)-2-methylhept-2-en-6-ynoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(E)-2-methylhept-2-en-6-ynoxy]-tri(propan-2-yl)silane (CID 11637719) is [(E)-2-methylhept-2-en-6-ynoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-2-methylhept-2-en-6-ynoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-2-methylhept-2-en-6-ynoxy]-tri(propan-2-yl)silane is C#CCC/C=C(\C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(E)-2-methylhept-2-en-6-ynoxy]-tri(propan-2-yl)silane?
The InChIKey is AKRZISDVHYJREB-SFQUDFHCSA-N. The full InChI is InChI=1S/C17H32OSi/c1-9-10-11-12-17(8)13-18-19(14(2)3,15(4)5)16(6)7/h1,12,14-16H,10-11,13H2,2-8H3/b17-12+.
What are the key properties of [(E)-2-methylhept-2-en-6-ynoxy]-tri(propan-2-yl)silane?
[(E)-2-methylhept-2-en-6-ynoxy]-tri(propan-2-yl)silane has a molecular weight of 280.53 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methylhept-2-en-6-ynoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 11637719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).