(E,2R,3S)-2-methyl-1-triethylsilyloxynon-4-en-3-ol

C16H34O2Si — CID 134945880

IUPAC(E,2R,3S)-2-methyl-1-triethylsilyloxynon-4-en-3-ol
SMILESCCCC/C=C/[C@H](O)[C@H](C)CO[Si](CC)(CC)CC
InChIInChI=1S/C16H34O2Si/c1-6-10-11-12-13-16(17)15(5)14-18-19(7-2,8-3)9-4/h12-13,15-17H,6-11,14H2,1-5H3/b13-12+/t15-,16+/m1/s1
InChIKeySPLOALOMWSHUID-DGLSUBJASA-N
MW286.53 g/mol
LogP4.75
Rot. Bonds11

About (E,2R,3S)-2-methyl-1-triethylsilyloxynon-4-en-3-ol

(E,2R,3S)-2-methyl-1-triethylsilyloxynon-4-en-3-ol (PubChem CID 134945880) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (E,2R,3S)-2-methyl-1-triethylsilyloxynon-4-en-3-ol.

Molecular Properties

Compound Name(E,2R,3S)-2-methyl-1-triethylsilyloxynon-4-en-3-ol
PubChem CID134945880
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(E,2R,3S)-2-methyl-1-triethylsilyloxynon-4-en-3-ol
SMILESCCCC/C=C/[C@H](O)[C@H](C)CO[Si](CC)(CC)CC
InChIInChI=1S/C16H34O2Si/c1-6-10-11-12-13-16(17)15(5)14-18-19(7-2,8-3)9-4/h12-13,15-17H,6-11,14H2,1-5H3/b13-12+/t15-,16+/m1/s1
InChIKeySPLOALOMWSHUID-DGLSUBJASA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 54.75
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,2S,3R)-non-4-ene-2,3-diol
CID 11321105
(E)-hept-2-ene-1,1-diol
CID 87660901
(Z,2R)-non-3-en-2-ol
CID 11040800
(E,2S,3R)-2-methyl-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]octadec-4-en-3-ol
CID 130235873
deca-1,5-diene-3,4-diol
CID 130238346
undec-3-en-2-ol
CID 174515693
(Z,3S)-2,2-dimethylnon-4-en-3-ol
CID 129365171
2-amino-1-methoxyoctadec-4-en-3-ol
CID 54490244
trimethyl(oct-3-en-2-yloxy)silane
CID 531269
(2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol
CID 10334877
(2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol
CID 134992697
(Z)-2-methyloct-3-ene;octane
CID 159051061

Frequently Asked Questions

What is the IUPAC name of (E,2R,3S)-2-methyl-1-triethylsilyloxynon-4-en-3-ol?
The IUPAC name of (E,2R,3S)-2-methyl-1-triethylsilyloxynon-4-en-3-ol (CID 134945880) is (E,2R,3S)-2-methyl-1-triethylsilyloxynon-4-en-3-ol.
What is the SMILES notation for (E,2R,3S)-2-methyl-1-triethylsilyloxynon-4-en-3-ol?
The canonical SMILES for (E,2R,3S)-2-methyl-1-triethylsilyloxynon-4-en-3-ol is CCCC/C=C/[C@H](O)[C@H](C)CO[Si](CC)(CC)CC.
What is the InChIKey of (E,2R,3S)-2-methyl-1-triethylsilyloxynon-4-en-3-ol?
The InChIKey is SPLOALOMWSHUID-DGLSUBJASA-N. The full InChI is InChI=1S/C16H34O2Si/c1-6-10-11-12-13-16(17)15(5)14-18-19(7-2,8-3)9-4/h12-13,15-17H,6-11,14H2,1-5H3/b13-12+/t15-,16+/m1/s1.
What are the key properties of (E,2R,3S)-2-methyl-1-triethylsilyloxynon-4-en-3-ol?
(E,2R,3S)-2-methyl-1-triethylsilyloxynon-4-en-3-ol has a molecular weight of 286.53 g/mol, XLogP of 4.75, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S)-2-methyl-1-triethylsilyloxynon-4-en-3-ol is sourced from PubChem (CID 134945880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).