tert-butyl-(7-cyclohexylhept-1-en-6-yn-3-yloxy)-dimethylsilane

C19H34OSi — CID 102331088

IUPACtert-butyl-(7-cyclohexylhept-1-en-6-yn-3-yloxy)-dimethylsilane
SMILESC=CC(CCC#CC1CCCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34OSi/c1-7-18(20-21(5,6)19(2,3)4)16-12-11-15-17-13-9-8-10-14-17/h7,17-18H,1,8-10,12-14,16H2,2-6H3
InChIKeyBSZMWQFFULWIIR-UHFFFAOYSA-N
MW306.57 g/mol
LogP5.93
Rot. Bonds5

About tert-butyl-(7-cyclohexylhept-1-en-6-yn-3-yloxy)-dimethylsilane

tert-butyl-(7-cyclohexylhept-1-en-6-yn-3-yloxy)-dimethylsilane (PubChem CID 102331088) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is tert-butyl-(7-cyclohexylhept-1-en-6-yn-3-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(7-cyclohexylhept-1-en-6-yn-3-yloxy)-dimethylsilane
PubChem CID102331088
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Nametert-butyl-(7-cyclohexylhept-1-en-6-yn-3-yloxy)-dimethylsilane
SMILESC=CC(CCC#CC1CCCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34OSi/c1-7-18(20-21(5,6)19(2,3)4)16-12-11-15-17-13-9-8-10-14-17/h7,17-18H,1,8-10,12-14,16H2,2-6H3
InChIKeyBSZMWQFFULWIIR-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 55.93
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-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10643656
tert-butyl-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10667634
[(E)-3-cyclohexyl-3-trimethylsilyloxyprop-1-enyl]-tri(propan-2-yl)silane
CID 134883124
tert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane
CID 135042365
tert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane
CID 162406243
tert-butyl-dimethyl-[(5S)-5-methyldec-9-en-1-yn-3-yl]oxysilane
CID 101445755
tert-butyl-[(1S,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10523997
tert-butyl-[(1S,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10762489
tert-butyl-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10762490
tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10762491
tert-butyl-[(1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10833797
tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethenylhex-5-ynoxy]-dimethylsilane
CID 10874920

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(7-cyclohexylhept-1-en-6-yn-3-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(7-cyclohexylhept-1-en-6-yn-3-yloxy)-dimethylsilane (CID 102331088) is tert-butyl-(7-cyclohexylhept-1-en-6-yn-3-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(7-cyclohexylhept-1-en-6-yn-3-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(7-cyclohexylhept-1-en-6-yn-3-yloxy)-dimethylsilane is C=CC(CCC#CC1CCCCC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(7-cyclohexylhept-1-en-6-yn-3-yloxy)-dimethylsilane?
The InChIKey is BSZMWQFFULWIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34OSi/c1-7-18(20-21(5,6)19(2,3)4)16-12-11-15-17-13-9-8-10-14-17/h7,17-18H,1,8-10,12-14,16H2,2-6H3.
What are the key properties of tert-butyl-(7-cyclohexylhept-1-en-6-yn-3-yloxy)-dimethylsilane?
tert-butyl-(7-cyclohexylhept-1-en-6-yn-3-yloxy)-dimethylsilane has a molecular weight of 306.57 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(7-cyclohexylhept-1-en-6-yn-3-yloxy)-dimethylsilane is sourced from PubChem (CID 102331088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).