(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dien-1-ol

C17H34O3Si — CID 11209244

IUPAC(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dien-1-ol
SMILESC=C[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(/C)CO
InChIInChI=1S/C17H34O3Si/c1-10-15(19-7)16(14(3)11-13(2)12-18)20-21(8,9)17(4,5)6/h10-11,14-16,18H,1,12H2,2-9H3/b13-11-/t14-,15+,16+/m1/s1
InChIKeyODWDQEMDLPZZGM-PLUDAVOASA-N
MW314.54 g/mol
LogP4.15
Rot. Bonds8

About (2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dien-1-ol

(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dien-1-ol (PubChem CID 11209244) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dien-1-ol.

Molecular Properties

Compound Name(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dien-1-ol
PubChem CID11209244
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dien-1-ol
SMILESC=C[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(/C)CO
InChIInChI=1S/C17H34O3Si/c1-10-15(19-7)16(14(3)11-13(2)12-18)20-21(8,9)17(4,5)6/h10-11,14-16,18H,1,12H2,2-9H3/b13-11-/t14-,15+,16+/m1/s1
InChIKeyODWDQEMDLPZZGM-PLUDAVOASA-N
XLogP4.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.15
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'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dien-1-ol?
The IUPAC name of (2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dien-1-ol (CID 11209244) is (2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dien-1-ol.
What is the SMILES notation for (2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dien-1-ol?
The canonical SMILES for (2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dien-1-ol is C=C[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(/C)CO.
What is the InChIKey of (2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dien-1-ol?
The InChIKey is ODWDQEMDLPZZGM-PLUDAVOASA-N. The full InChI is InChI=1S/C17H34O3Si/c1-10-15(19-7)16(14(3)11-13(2)12-18)20-21(8,9)17(4,5)6/h10-11,14-16,18H,1,12H2,2-9H3/b13-11-/t14-,15+,16+/m1/s1.
What are the key properties of (2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dien-1-ol?
(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dien-1-ol has a molecular weight of 314.54 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dien-1-ol is sourced from PubChem (CID 11209244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).