tert-butyl-(3-cyclohept-2-en-1-yloxyprop-1-ynyl)-dimethylsilane

C16H28OSi — CID 11097440

IUPACtert-butyl-(3-cyclohept-2-en-1-yloxyprop-1-ynyl)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C#CCOC1C=CCCCC1
InChIInChI=1S/C16H28OSi/c1-16(2,3)18(4,5)14-10-13-17-15-11-8-6-7-9-12-15/h8,11,15H,6-7,9,12-13H2,1-5H3
InChIKeyXQGDTSOWUPAKIB-UHFFFAOYSA-N
MW264.48 g/mol
LogP4.55
Rot. Bonds2

About tert-butyl-(3-cyclohept-2-en-1-yloxyprop-1-ynyl)-dimethylsilane

tert-butyl-(3-cyclohept-2-en-1-yloxyprop-1-ynyl)-dimethylsilane (PubChem CID 11097440) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is tert-butyl-(3-cyclohept-2-en-1-yloxyprop-1-ynyl)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-cyclohept-2-en-1-yloxyprop-1-ynyl)-dimethylsilane
PubChem CID11097440
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Nametert-butyl-(3-cyclohept-2-en-1-yloxyprop-1-ynyl)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C#CCOC1C=CCCCC1
InChIInChI=1S/C16H28OSi/c1-16(2,3)18(4,5)14-10-13-17-15-11-8-6-7-9-12-15/h8,11,15H,6-7,9,12-13H2,1-5H3
InChIKeyXQGDTSOWUPAKIB-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 54.55
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

trimethyl-[2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane
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Trimethyl-(2-pentyl-5-propyl-2,5-dihydrofuran-3-yl)silane
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trimethyl-[(E)-3-(oxan-2-yl)prop-2-enyl]silane
CID 102392643
trimethyl-[[5-[(E)-oct-5-enyl]-2,5-dihydrofuran-2-yl]methyl]silane
CID 134997144
trimethyl-[2-[[(E)-non-6-enoxy]methyl]cyclopropen-1-yl]silane
CID 134997145
2-[(7S)-7-hexyl-2,3,4,7-tetrahydrooxepin-2-yl]ethynyl-trimethylsilane
CID 135022516
tert-butyl-[(Z)-dec-3-en-1-yn-5-yl]oxy-dimethylsilane
CID 146163106
tert-butyl-dimethyl-[(Z)-1-trimethylsilyldec-3-en-1-yn-5-yl]oxysilane
CID 146163108
tert-butyl-dimethyl-[(Z,5S)-1-trimethylsilyldec-3-en-1-yn-5-yl]oxysilane
CID 146163198
fluoro-[(1S)-1-[(4R,5E)-hepta-1,5-dien-4-yl]oxyhexyl]-dimethylsilane
CID 10802175
trimethyl-[2-methylidene-5-[(2R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane
CID 89242414
Tert-butyl-dimethyl-tridec-7-en-9-yn-6-yloxysilane
CID 173440675

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-cyclohept-2-en-1-yloxyprop-1-ynyl)-dimethylsilane?
The IUPAC name of tert-butyl-(3-cyclohept-2-en-1-yloxyprop-1-ynyl)-dimethylsilane (CID 11097440) is tert-butyl-(3-cyclohept-2-en-1-yloxyprop-1-ynyl)-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-cyclohept-2-en-1-yloxyprop-1-ynyl)-dimethylsilane?
The canonical SMILES for tert-butyl-(3-cyclohept-2-en-1-yloxyprop-1-ynyl)-dimethylsilane is CC(C)(C)[Si](C)(C)C#CCOC1C=CCCCC1.
What is the InChIKey of tert-butyl-(3-cyclohept-2-en-1-yloxyprop-1-ynyl)-dimethylsilane?
The InChIKey is XQGDTSOWUPAKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSi/c1-16(2,3)18(4,5)14-10-13-17-15-11-8-6-7-9-12-15/h8,11,15H,6-7,9,12-13H2,1-5H3.
What are the key properties of tert-butyl-(3-cyclohept-2-en-1-yloxyprop-1-ynyl)-dimethylsilane?
tert-butyl-(3-cyclohept-2-en-1-yloxyprop-1-ynyl)-dimethylsilane has a molecular weight of 264.48 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-cyclohept-2-en-1-yloxyprop-1-ynyl)-dimethylsilane is sourced from PubChem (CID 11097440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).