(E,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-en-1-ol

C16H34O2Si — CID 102588755

IUPAC(E,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-en-1-ol
SMILESCCCCC/C=C/C[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-7-8-9-10-11-12-13-15(14-17)18-19(5,6)16(2,3)4/h11-12,15,17H,7-10,13-14H2,1-6H3/b12-11+/t15-/m0/s1
InChIKeyJUUADUTXBKBAGJ-RUMSDORHSA-N
MW286.53 g/mol
LogP4.90
Rot. Bonds9

About (E,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-en-1-ol

(E,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-en-1-ol (PubChem CID 102588755) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (E,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-en-1-ol.

Molecular Properties

Compound Name(E,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-en-1-ol
PubChem CID102588755
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(E,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-en-1-ol
SMILESCCCCC/C=C/C[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-7-8-9-10-11-12-13-15(14-17)18-19(5,6)16(2,3)4/h11-12,15,17H,7-10,13-14H2,1-6H3/b12-11+/t15-/m0/s1
InChIKeyJUUADUTXBKBAGJ-RUMSDORHSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 54.90
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'}

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Related Compounds

[(Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enyl] prop-2-enoate
CID 174059908
methyl (11Z,14Z)-3-[tert-butyl(dimethyl)silyl]oxyicosa-11,14-dienoate
CID 86678084
[(2R)-3-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxypropyl] (Z)-octadec-9-enoate
CID 45101778
(E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol
CID 100961334
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(8-octylsulfanyloctoxy)propan-1-ol
CID 162458935
[tert-butyl(dimethyl)silyl] (E)-octadec-11-enoate
CID 91743170
(E)-dec-4-ene-1,2-diol
CID 13288576
18-[tert-butyl(dimethyl)silyl]oxyoctadec-9-en-7-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 162391434
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-1-ol
CID 10900101

Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-en-1-ol?
The IUPAC name of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-en-1-ol (CID 102588755) is (E,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-en-1-ol.
What is the SMILES notation for (E,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-en-1-ol?
The canonical SMILES for (E,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-en-1-ol is CCCCC/C=C/C[C@@H](CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-en-1-ol?
The InChIKey is JUUADUTXBKBAGJ-RUMSDORHSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-7-8-9-10-11-12-13-15(14-17)18-19(5,6)16(2,3)4/h11-12,15,17H,7-10,13-14H2,1-6H3/b12-11+/t15-/m0/s1.
What are the key properties of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-en-1-ol?
(E,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-en-1-ol has a molecular weight of 286.53 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-en-1-ol is sourced from PubChem (CID 102588755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).