tert-butyl-[(Z)-10-chlorodec-9-en-7-ynoxy]-dimethylsilane

C16H29ClOSi — CID 87614824

IUPACtert-butyl-[(Z)-10-chlorodec-9-en-7-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCC#C/C=C\Cl
InChIInChI=1S/C16H29ClOSi/c1-16(2,3)19(4,5)18-15-13-11-9-7-6-8-10-12-14-17/h12,14H,6-7,9,11,13,15H2,1-5H3/b14-12-
InChIKeyFNPQAFXQSJPXTH-OWBHPGMISA-N
MW300.95 g/mol
LogP5.71
Rot. Bonds7

About tert-butyl-[(Z)-10-chlorodec-9-en-7-ynoxy]-dimethylsilane

tert-butyl-[(Z)-10-chlorodec-9-en-7-ynoxy]-dimethylsilane (PubChem CID 87614824) has the molecular formula C16H29ClOSi and a molecular weight of 300.95 g/mol. Its IUPAC name is tert-butyl-[(Z)-10-chlorodec-9-en-7-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-10-chlorodec-9-en-7-ynoxy]-dimethylsilane
PubChem CID87614824
Molecular FormulaC16H29ClOSi
Molecular Weight300.95 g/mol
Exact Mass300.17
IUPAC Nametert-butyl-[(Z)-10-chlorodec-9-en-7-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCC#C/C=C\Cl
InChIInChI=1S/C16H29ClOSi/c1-16(2,3)19(4,5)18-15-13-11-9-7-6-8-10-12-14-17/h12,14H,6-7,9,11,13,15H2,1-5H3/b14-12-
InChIKeyFNPQAFXQSJPXTH-OWBHPGMISA-N
XLogP5.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.95
LogP ≤ 55.71
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

tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane
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tert-butyl-(7-iodohept-6-ynoxy)-dimethylsilane
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13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane
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tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
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tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-dimethyl-[(E)-undec-4-en-6-ynoxy]silane
CID 23240903
tert-butyl-hexadec-15-ynoxy-dimethylsilane
CID 23073442
potassium 6-[tert-butyl(dimethyl)silyl]oxyhex-1-ynyl-trifluoroboranuide
CID 23696339
(Z)-1-chlorodec-1-en-3-yne
CID 124646971
lithium tert-butyl-hex-5-ynoxy-dimethylsilane
CID 11009447
tert-butyl-dimethyl-[7-[(2R)-oxiran-2-yl]hept-5-ynoxy]silane
CID 54672543

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-10-chlorodec-9-en-7-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-10-chlorodec-9-en-7-ynoxy]-dimethylsilane (CID 87614824) is tert-butyl-[(Z)-10-chlorodec-9-en-7-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-10-chlorodec-9-en-7-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-10-chlorodec-9-en-7-ynoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCCCCC#C/C=C\Cl.
What is the InChIKey of tert-butyl-[(Z)-10-chlorodec-9-en-7-ynoxy]-dimethylsilane?
The InChIKey is FNPQAFXQSJPXTH-OWBHPGMISA-N. The full InChI is InChI=1S/C16H29ClOSi/c1-16(2,3)19(4,5)18-15-13-11-9-7-6-8-10-12-14-17/h12,14H,6-7,9,11,13,15H2,1-5H3/b14-12-.
What are the key properties of tert-butyl-[(Z)-10-chlorodec-9-en-7-ynoxy]-dimethylsilane?
tert-butyl-[(Z)-10-chlorodec-9-en-7-ynoxy]-dimethylsilane has a molecular weight of 300.95 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-10-chlorodec-9-en-7-ynoxy]-dimethylsilane is sourced from PubChem (CID 87614824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).