1-[tert-butyl(dimethyl)silyl]oxytridec-6-yn-5-ol

C19H38O2Si — CID 139254007

IUPAC1-[tert-butyl(dimethyl)silyl]oxytridec-6-yn-5-ol
SMILESCCCCCCC#CC(O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si/c1-7-8-9-10-11-12-15-18(20)16-13-14-17-21-22(5,6)19(2,3)4/h18,20H,7-11,13-14,16-17H2,1-6H3
InChIKeyJKQVCSMTMVKPKM-UHFFFAOYSA-N
MW326.60 g/mol
LogP5.51
Rot. Bonds10

About 1-[tert-butyl(dimethyl)silyl]oxytridec-6-yn-5-ol

1-[tert-butyl(dimethyl)silyl]oxytridec-6-yn-5-ol (PubChem CID 139254007) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxytridec-6-yn-5-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxytridec-6-yn-5-ol
PubChem CID139254007
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxytridec-6-yn-5-ol
SMILESCCCCCCC#CC(O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si/c1-7-8-9-10-11-12-15-18(20)16-13-14-17-21-22(5,6)19(2,3)4/h18,20H,7-11,13-14,16-17H2,1-6H3
InChIKeyJKQVCSMTMVKPKM-UHFFFAOYSA-N
XLogP5.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 55.51
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

7-Trimethylsilylhept-6-yne-1,5-diol
CID 23240932
2-Hexanol, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10376666
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 11264771
4-[Tert-butyl(dimethyl)silyl]oxynon-2-yn-1-ol
CID 85825729
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 101479286
(3R)-1-tri(propan-2-yl)silyloct-1-yn-3-ol
CID 11129776
(3S,7R)-1,9-bis(trimethylsilyl)nona-1,8-diyne-3,5,7-triol
CID 15142640
1-[Tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol
CID 24787557
1-Tri(propan-2-yl)silyloct-1-yn-3-ol
CID 85409257
1-[Tert-butyl(dimethyl)silyl]dodec-1-yn-4-ol
CID 101261967
(3R,4R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethyl-1-trimethylsilylhept-1-yn-3-ol
CID 101756872
(5r,6r)-1,6-Di-t-butyldimethylsiloxy-5-hydroxyheptadec-2-yne
CID 129776450

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxytridec-6-yn-5-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxytridec-6-yn-5-ol (CID 139254007) is 1-[tert-butyl(dimethyl)silyl]oxytridec-6-yn-5-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxytridec-6-yn-5-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxytridec-6-yn-5-ol is CCCCCCC#CC(O)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxytridec-6-yn-5-ol?
The InChIKey is JKQVCSMTMVKPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-7-8-9-10-11-12-15-18(20)16-13-14-17-21-22(5,6)19(2,3)4/h18,20H,7-11,13-14,16-17H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxytridec-6-yn-5-ol?
1-[tert-butyl(dimethyl)silyl]oxytridec-6-yn-5-ol has a molecular weight of 326.60 g/mol, XLogP of 5.51, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxytridec-6-yn-5-ol is sourced from PubChem (CID 139254007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).