(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyundec-2-en-6-yn-5-ol

C17H32O2Si — CID 10063181

IUPAC(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyundec-2-en-6-yn-5-ol
SMILESC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C#CCCCC
InChIInChI=1S/C17H32O2Si/c1-8-10-11-12-14-15(18)16(13-9-2)19-20(6,7)17(3,4)5/h9,13,15-16,18H,8,10-11H2,1-7H3/b13-9+/t15-,16+/m0/s1
InChIKeyDVYJJQFBOMOJCZ-FKZVYCBESA-N
MW296.53 g/mol
LogP4.51
Rot. Bonds6

About (E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyundec-2-en-6-yn-5-ol

(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyundec-2-en-6-yn-5-ol (PubChem CID 10063181) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyundec-2-en-6-yn-5-ol.

Molecular Properties

Compound Name(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyundec-2-en-6-yn-5-ol
PubChem CID10063181
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyundec-2-en-6-yn-5-ol
SMILESC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C#CCCCC
InChIInChI=1S/C17H32O2Si/c1-8-10-11-12-14-15(18)16(13-9-2)19-20(6,7)17(3,4)5/h9,13,15-16,18H,8,10-11H2,1-7H3/b13-9+/t15-,16+/m0/s1
InChIKeyDVYJJQFBOMOJCZ-FKZVYCBESA-N
XLogP4.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.51
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-2,6-dien-1-ol
CID 134950412
(2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
CID 11098093
(E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol
CID 11674197
(E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol
CID 15182176
(2S,4Z,7Z)-2-[tert-butyl(dimethyl)silyl]oxydeca-4,7-dien-1-ol
CID 23661055
(E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol
CID 25146570
(2R,3S,4E,6R,7S,8Z)-3,5,7-trimethyl-2-triethylsilyloxydodeca-4,8-dien-10-yn-6-ol
CID 49836104
(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-4-en-3-ol
CID 53329570
(E,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol
CID 101778807
(2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol
CID 102518304
(2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol
CID 123540959
(E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-en-1-ol
CID 134865662

Frequently Asked Questions

What is the IUPAC name of (E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyundec-2-en-6-yn-5-ol?
The IUPAC name of (E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyundec-2-en-6-yn-5-ol (CID 10063181) is (E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyundec-2-en-6-yn-5-ol.
What is the SMILES notation for (E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyundec-2-en-6-yn-5-ol?
The canonical SMILES for (E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyundec-2-en-6-yn-5-ol is C/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C#CCCCC.
What is the InChIKey of (E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyundec-2-en-6-yn-5-ol?
The InChIKey is DVYJJQFBOMOJCZ-FKZVYCBESA-N. The full InChI is InChI=1S/C17H32O2Si/c1-8-10-11-12-14-15(18)16(13-9-2)19-20(6,7)17(3,4)5/h9,13,15-16,18H,8,10-11H2,1-7H3/b13-9+/t15-,16+/m0/s1.
What are the key properties of (E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyundec-2-en-6-yn-5-ol?
(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyundec-2-en-6-yn-5-ol has a molecular weight of 296.53 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyundec-2-en-6-yn-5-ol is sourced from PubChem (CID 10063181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).