(E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-8-ethoxyoct-4-en-7-yn-3-ol

C16H30O3Si — CID 101355323

IUPAC(E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-8-ethoxyoct-4-en-7-yn-3-ol
SMILESCCOC#CC/C=C/[C@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-7-18-13-10-8-9-11-15(17)12-14-19-20(5,6)16(2,3)4/h9,11,15,17H,7-8,12,14H2,1-6H3/b11-9+/t15-/m0/s1
InChIKeyDCDPLXJURXITDU-GDXASINISA-N
MW298.50 g/mol
LogP3.70
Rot. Bonds7

About (E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-8-ethoxyoct-4-en-7-yn-3-ol

(E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-8-ethoxyoct-4-en-7-yn-3-ol (PubChem CID 101355323) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-8-ethoxyoct-4-en-7-yn-3-ol.

Molecular Properties

Compound Name(E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-8-ethoxyoct-4-en-7-yn-3-ol
PubChem CID101355323
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name(E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-8-ethoxyoct-4-en-7-yn-3-ol
SMILESCCOC#CC/C=C/[C@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-7-18-13-10-8-9-11-15(17)12-14-19-20(5,6)16(2,3)4/h9,11,15,17H,7-8,12,14H2,1-6H3/b11-9+/t15-/m0/s1
InChIKeyDCDPLXJURXITDU-GDXASINISA-N
XLogP3.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

(E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol
CID 135045339
tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane
CID 57087962
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 15363416
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol
CID 71545770
tert-butyl-[(E)-hex-4-enoxy]-dimethylsilane
CID 15936622
(Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol
CID 53255144
(3S,4S,6E,9R,10E)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyldodeca-6,10-dien-3-ol
CID 50916568
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 45101596
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 101084181
(Z,2S,6R)-1-[tert-butyl(dimethyl)silyl]oxyoct-3-ene-2,6-diol
CID 10707504
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088

Frequently Asked Questions

What is the IUPAC name of (E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-8-ethoxyoct-4-en-7-yn-3-ol?
The IUPAC name of (E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-8-ethoxyoct-4-en-7-yn-3-ol (CID 101355323) is (E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-8-ethoxyoct-4-en-7-yn-3-ol.
What is the SMILES notation for (E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-8-ethoxyoct-4-en-7-yn-3-ol?
The canonical SMILES for (E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-8-ethoxyoct-4-en-7-yn-3-ol is CCOC#CC/C=C/[C@H](O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-8-ethoxyoct-4-en-7-yn-3-ol?
The InChIKey is DCDPLXJURXITDU-GDXASINISA-N. The full InChI is InChI=1S/C16H30O3Si/c1-7-18-13-10-8-9-11-15(17)12-14-19-20(5,6)16(2,3)4/h9,11,15,17H,7-8,12,14H2,1-6H3/b11-9+/t15-/m0/s1.
What are the key properties of (E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-8-ethoxyoct-4-en-7-yn-3-ol?
(E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-8-ethoxyoct-4-en-7-yn-3-ol has a molecular weight of 298.50 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-1-[tert-butyl(dimethyl)silyl]oxy-8-ethoxyoct-4-en-7-yn-3-ol is sourced from PubChem (CID 101355323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).