13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol

C22H46O2Si2 — CID 86668329

IUPAC13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol
SMILESCC(C)(C)[Si](C)(C)OCCCCCCC(O)CCCCC#C[Si](C)(C)C
InChIInChI=1S/C22H46O2Si2/c1-22(2,3)26(7,8)24-19-15-11-9-13-17-21(23)18-14-10-12-16-20-25(4,5)6/h21,23H,9-15,17-19H2,1-8H3
InChIKeyTZVPTLVFKZDHPE-UHFFFAOYSA-N
MW398.78 g/mol
LogP6.76
Rot. Bonds12

About 13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol

13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol (PubChem CID 86668329) has the molecular formula C22H46O2Si2 and a molecular weight of 398.78 g/mol. Its IUPAC name is 13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol.

Molecular Properties

Compound Name13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol
PubChem CID86668329
Molecular FormulaC22H46O2Si2
Molecular Weight398.78 g/mol
Exact Mass398.30
IUPAC Name13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol
SMILESCC(C)(C)[Si](C)(C)OCCCCCCC(O)CCCCC#C[Si](C)(C)C
InChIInChI=1S/C22H46O2Si2/c1-22(2,3)26(7,8)24-19-15-11-9-13-17-21(23)18-14-10-12-16-20-25(4,5)6/h21,23H,9-15,17-19H2,1-8H3
InChIKeyTZVPTLVFKZDHPE-UHFFFAOYSA-N
XLogP6.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.78
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol
CID 71427896
(3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol
CID 15605935
(3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol
CID 125490283
tert-butyl-(7-iodohept-6-ynoxy)-dimethylsilane
CID 87614781
13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane
CID 11222996
(9S)-1-[tert-butyl(dimethyl)silyl]oxyoctadec-17-en-4,6-diyn-9-ol
CID 10385752
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
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
potassium 6-[tert-butyl(dimethyl)silyl]oxyhex-1-ynyl-trifluoroboranuide
CID 23696339
11-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethynyl)undecanoic acid
CID 123979390

Frequently Asked Questions

What is the IUPAC name of 13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol?
The IUPAC name of 13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol (CID 86668329) is 13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol.
What is the SMILES notation for 13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol?
The canonical SMILES for 13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol is CC(C)(C)[Si](C)(C)OCCCCCCC(O)CCCCC#C[Si](C)(C)C.
What is the InChIKey of 13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol?
The InChIKey is TZVPTLVFKZDHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2Si2/c1-22(2,3)26(7,8)24-19-15-11-9-13-17-21(23)18-14-10-12-16-20-25(4,5)6/h21,23H,9-15,17-19H2,1-8H3.
What are the key properties of 13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol?
13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol has a molecular weight of 398.78 g/mol, XLogP of 6.76, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol is sourced from PubChem (CID 86668329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).