tert-butyl-dimethyl-[(3S)-3-prop-1-en-2-ylhept-6-ynoxy]silane

C16H30OSi — CID 10563728

IUPACtert-butyl-dimethyl-[(3S)-3-prop-1-en-2-ylhept-6-ynoxy]silane
SMILESC#CCC[C@@H](CCO[Si](C)(C)C(C)(C)C)C(=C)C
InChIInChI=1S/C16H30OSi/c1-9-10-11-15(14(2)3)12-13-17-18(7,8)16(4,5)6/h1,15H,2,10-13H2,3-8H3/t15-/m0/s1
InChIKeyOTGDRVCDYFPQRU-HNNXBMFYSA-N
MW266.50 g/mol
LogP5.00
Rot. Bonds7

About tert-butyl-dimethyl-[(3S)-3-prop-1-en-2-ylhept-6-ynoxy]silane

tert-butyl-dimethyl-[(3S)-3-prop-1-en-2-ylhept-6-ynoxy]silane (PubChem CID 10563728) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S)-3-prop-1-en-2-ylhept-6-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S)-3-prop-1-en-2-ylhept-6-ynoxy]silane
PubChem CID10563728
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Nametert-butyl-dimethyl-[(3S)-3-prop-1-en-2-ylhept-6-ynoxy]silane
SMILESC#CCC[C@@H](CCO[Si](C)(C)C(C)(C)C)C(=C)C
InChIInChI=1S/C16H30OSi/c1-9-10-11-15(14(2)3)12-13-17-18(7,8)16(4,5)6/h1,15H,2,10-13H2,3-8H3/t15-/m0/s1
InChIKeyOTGDRVCDYFPQRU-HNNXBMFYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.00
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

2,6-Dimethyl-6-dimethylisopropylsilyloxynon-1-en-3-yne
CID 531291
5-Diisopropylsilyloxy-2,6-dimethylnon-1-en-3-yne
CID 6327734
tert-butyl-dimethyl-[(2R)-2-prop-2-ynylhex-5-enoxy]silane
CID 16220311
Tert-butyl-(2-ethynyl-2,4-dimethylpent-4-enoxy)-dimethylsilane
CID 101400086
tert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane
CID 101400103
tert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane
CID 134844349
Tri(propan-2-yl)-(2-prop-1-en-2-ylpentoxy)silane
CID 135039646
[2-(3-Ethynyl-cyclohex-3-enyl)ethoxy]-triisopropyl-silane
CID 21986068
[(3S,5R)-2,5-dimethylnon-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane
CID 58215527
tert-butyl-[(3S,5S)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-dimethylsilane
CID 58420717
Triethyl-[2-(4-ethynylcyclohex-3-en-1-yl)ethoxy]silane
CID 85889591
[(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane
CID 157359661

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S)-3-prop-1-en-2-ylhept-6-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(3S)-3-prop-1-en-2-ylhept-6-ynoxy]silane (CID 10563728) is tert-butyl-dimethyl-[(3S)-3-prop-1-en-2-ylhept-6-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S)-3-prop-1-en-2-ylhept-6-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(3S)-3-prop-1-en-2-ylhept-6-ynoxy]silane is C#CCC[C@@H](CCO[Si](C)(C)C(C)(C)C)C(=C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3S)-3-prop-1-en-2-ylhept-6-ynoxy]silane?
The InChIKey is OTGDRVCDYFPQRU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H30OSi/c1-9-10-11-15(14(2)3)12-13-17-18(7,8)16(4,5)6/h1,15H,2,10-13H2,3-8H3/t15-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(3S)-3-prop-1-en-2-ylhept-6-ynoxy]silane?
tert-butyl-dimethyl-[(3S)-3-prop-1-en-2-ylhept-6-ynoxy]silane has a molecular weight of 266.50 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S)-3-prop-1-en-2-ylhept-6-ynoxy]silane is sourced from PubChem (CID 10563728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).