tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane

C27H52OSi — CID 11247187

IUPACtert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane
SMILESCCCCCC#C/C=C/CC(CCCCCCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H52OSi/c1-8-10-12-14-16-18-20-22-24-26(28-29(6,7)27(3,4)5)25-23-21-19-17-15-13-11-9-2/h21,23,26H,8-16,18,20,22,24-25H2,1-7H3/b23-21+
InChIKeyFPWCMVIUMQCJLN-XTQSDGFTSA-N
MW420.80 g/mol
LogP9.44
Rot. Bonds16

About tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane

tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane (PubChem CID 11247187) has the molecular formula C27H52OSi and a molecular weight of 420.80 g/mol. Its IUPAC name is tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane
PubChem CID11247187
Molecular FormulaC27H52OSi
Molecular Weight420.80 g/mol
Exact Mass420.38
IUPAC Nametert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane
SMILESCCCCCC#C/C=C/CC(CCCCCCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H52OSi/c1-8-10-12-14-16-18-20-22-24-26(28-29(6,7)27(3,4)5)25-23-21-19-17-15-13-11-9-2/h21,23,26H,8-16,18,20,22,24-25H2,1-7H3/b23-21+
InChIKeyFPWCMVIUMQCJLN-XTQSDGFTSA-N
XLogP9.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.80
LogP ≤ 59.44
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

7,12-Bis(trimethylsiloxy)octadec-9-ene
CID 91341822
cis-9-octadecenol, tBDMS
CID 6430273
(Z,E)-Tetradeca-9,12-dienol, tert-Butyldimethylsilyl ether
CID 91697354
13c,16c-docosadienol, tBDMS
CID 6430207
2,2-dimethyl-7-octyl-6,7-dihydro-3H-oxasilepine
CID 10753477
tert-butyl-dimethyl-[(4R)-undec-1-en-4-yl]oxysilane
CID 10850655
7-Cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane
CID 11068043
(Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol
CID 11111747
tert-butyl-[(1S)-1-[(1R,2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane
CID 11232927
tert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane
CID 11327675
tert-butyl-[(7E,11E,13Z)-hexadeca-7,11,13-trien-9-ynoxy]-dimethylsilane
CID 12150580
[(E)-hexadec-10-en-12-ynoxy]-trimethylsilane
CID 15933165

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane (CID 11247187) is tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane is CCCCCC#C/C=C/CC(CCCCCCCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane?
The InChIKey is FPWCMVIUMQCJLN-XTQSDGFTSA-N. The full InChI is InChI=1S/C27H52OSi/c1-8-10-12-14-16-18-20-22-24-26(28-29(6,7)27(3,4)5)25-23-21-19-17-15-13-11-9-2/h21,23,26H,8-16,18,20,22,24-25H2,1-7H3/b23-21+.
What are the key properties of tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane?
tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane has a molecular weight of 420.80 g/mol, XLogP of 9.44, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane is sourced from PubChem (CID 11247187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).