tert-butyl-[(3E,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane

C16H28OSi — CID 146163127

IUPACtert-butyl-[(3E,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane
SMILESC#C/C=C/[C@H](C/C=C\CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28OSi/c1-8-10-12-14-15(13-11-9-2)17-18(6,7)16(3,4)5/h2,10-13,15H,8,14H2,1,3-7H3/b12-10-,13-11+/t15-/m1/s1
InChIKeyQIBCTJJSGMMQMP-DQSNIXMNSA-N
MW264.48 g/mol
LogP4.92
Rot. Bonds6

About tert-butyl-[(3E,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane

tert-butyl-[(3E,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane (PubChem CID 146163127) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is tert-butyl-[(3E,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3E,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane
PubChem CID146163127
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Nametert-butyl-[(3E,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane
SMILESC#C/C=C/[C@H](C/C=C\CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28OSi/c1-8-10-12-14-15(13-11-9-2)17-18(6,7)16(3,4)5/h2,10-13,15H,8,14H2,1,3-7H3/b12-10-,13-11+/t15-/m1/s1
InChIKeyQIBCTJJSGMMQMP-DQSNIXMNSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 54.92
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

tert-butyl-dimethyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane
CID 18396825
4-Trimethylsiloxy-1,5-heptadiene
CID 140330532
tert-butyl-[(2E,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,6-dienoxy]-dimethylsilane
CID 5387042
2-Triisobutylsilyloxyoct-3-ene
CID 5353180
tert-butyl-dimethyl-[(3S,4Z)-nona-4,8-dien-3-yl]oxysilane
CID 11379815
ethynyl-[(3R,4E)-4-methylhexa-1,4-dien-3-yl]oxy-di(propan-2-yl)silane
CID 11651729
[(3S,4R,5E)-2,3-dimethylocta-1,5-dien-7-yn-4-yl]oxy-tri(propan-2-yl)silane
CID 11771207
Tert-butyl-dimethyl-(2-methyloct-2-en-7-yn-4-yloxy)silane
CID 13789160
tert-butyl-dimethyl-[(E)-pent-3-en-2-yl]oxysilane
CID 13869188
tert-butyl-[(E)-5,5-dimethyloct-6-en-2-yn-4-yl]oxy-dimethylsilane
CID 44195394
tert-butyl-[(3Z,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane
CID 53359090
Tert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane
CID 57332464

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3E,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3E,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane (CID 146163127) is tert-butyl-[(3E,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3E,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3E,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane is C#C/C=C/[C@H](C/C=C\CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3E,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane?
The InChIKey is QIBCTJJSGMMQMP-DQSNIXMNSA-N. The full InChI is InChI=1S/C16H28OSi/c1-8-10-12-14-15(13-11-9-2)17-18(6,7)16(3,4)5/h2,10-13,15H,8,14H2,1,3-7H3/b12-10-,13-11+/t15-/m1/s1.
What are the key properties of tert-butyl-[(3E,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane?
tert-butyl-[(3E,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane has a molecular weight of 264.48 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3E,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane is sourced from PubChem (CID 146163127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).