13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane

C19H37BrOSi — CID 11222996

IUPAC13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCCCCC#CBr
InChIInChI=1S/C19H37BrOSi/c1-19(2,3)22(4,5)21-18-16-14-12-10-8-6-7-9-11-13-15-17-20/h6-14,16,18H2,1-5H3
InChIKeyZMARWBZWTPAJNX-UHFFFAOYSA-N
MW389.49 g/mol
LogP7.26
Rot. Bonds12

About 13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane

13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane (PubChem CID 11222996) has the molecular formula C19H37BrOSi and a molecular weight of 389.49 g/mol. Its IUPAC name is 13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane
PubChem CID11222996
Molecular FormulaC19H37BrOSi
Molecular Weight389.49 g/mol
Exact Mass388.18
IUPAC Name13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCCCCC#CBr
InChIInChI=1S/C19H37BrOSi/c1-19(2,3)22(4,5)21-18-16-14-12-10-8-6-7-9-11-13-15-17-20/h6-14,16,18H2,1-5H3
InChIKeyZMARWBZWTPAJNX-UHFFFAOYSA-N
XLogP7.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.49
LogP ≤ 57.26
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-(7-iodohept-6-ynoxy)-dimethylsilane
CID 87614781
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-hexadec-15-ynoxy-dimethylsilane
CID 23073442
lithium tert-butyl-hex-5-ynoxy-dimethylsilane
CID 11009447
potassium 6-[tert-butyl(dimethyl)silyl]oxyhex-1-ynyl-trifluoroboranuide
CID 23696339
tert-butyl-[(Z)-10-chlorodec-9-en-7-ynoxy]-dimethylsilane
CID 87614824
tert-butyl-dimethyl-[7-[(2R)-oxiran-2-yl]hept-5-ynoxy]silane
CID 54672543
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol
CID 86668329
tert-butyl-dimethyl-[11-(3-pentyloxiran-2-yl)undec-6-ynoxy]silane
CID 59341246

Frequently Asked Questions

What is the IUPAC name of 13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane?
The IUPAC name of 13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane (CID 11222996) is 13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCCCCCCCCCC#CBr.
What is the InChIKey of 13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane?
The InChIKey is ZMARWBZWTPAJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37BrOSi/c1-19(2,3)22(4,5)21-18-16-14-12-10-8-6-7-9-11-13-15-17-20/h6-14,16,18H2,1-5H3.
What are the key properties of 13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane?
13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane has a molecular weight of 389.49 g/mol, XLogP of 7.26, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11222996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).