(E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol

C19H38O2Si2 — CID 25146570

IUPAC(E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol
SMILESCC(C)(/C=C/[C@H](O)CC#C[Si](C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si2/c1-18(2,3)23(9,10)21-16-19(4,5)14-13-17(20)12-11-15-22(6,7)8/h13-14,17,20H,12,16H2,1-10H3/b14-13+/t17-/m1/s1
InChIKeyWEKHLRBYCXXMHT-TUQDCPSNSA-N
MW354.68 g/mol
LogP5.22
Rot. Bonds6

About (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol

(E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol (PubChem CID 25146570) has the molecular formula C19H38O2Si2 and a molecular weight of 354.68 g/mol. Its IUPAC name is (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol.

Molecular Properties

Compound Name(E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol
PubChem CID25146570
Molecular FormulaC19H38O2Si2
Molecular Weight354.68 g/mol
Exact Mass354.24
IUPAC Name(E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol
SMILESCC(C)(/C=C/[C@H](O)CC#C[Si](C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si2/c1-18(2,3)23(9,10)21-16-19(4,5)14-13-17(20)12-11-15-22(6,7)8/h13-14,17,20H,12,16H2,1-10H3/b14-13+/t17-/m1/s1
InChIKeyWEKHLRBYCXXMHT-TUQDCPSNSA-N
XLogP5.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.68
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Launch Full Analysis

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,4R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-1-tri(propan-2-yl)silyloct-5-en-1-yn-4-ol
CID 11633537
(E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol
CID 11674197
(E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyl-1-tri(propan-2-yl)silyloct-5-en-1-yn-4-ol
CID 11698150
(2R,3S,4E,6R,7S,8Z)-3,5,7-trimethyl-2-triethylsilyloxydodeca-4,8-dien-10-yn-6-ol
CID 49836104
(E,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol
CID 101778807
(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol
CID 102050109
(2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol
CID 102518304
(1Z,4S)-6-methyl-1-tri(propan-2-yl)silyloxyhepta-1,5-dien-4-ol
CID 132916242
[(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane
CID 134865464
(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)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol?
The IUPAC name of (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol (CID 25146570) is (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol.
What is the SMILES notation for (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol?
The canonical SMILES for (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol is CC(C)(/C=C/[C@H](O)CC#C[Si](C)(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol?
The InChIKey is WEKHLRBYCXXMHT-TUQDCPSNSA-N. The full InChI is InChI=1S/C19H38O2Si2/c1-18(2,3)23(9,10)21-16-19(4,5)14-13-17(20)12-11-15-22(6,7)8/h13-14,17,20H,12,16H2,1-10H3/b14-13+/t17-/m1/s1.
What are the key properties of (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol?
(E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol has a molecular weight of 354.68 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol is sourced from PubChem (CID 25146570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).