(3R,4E)-2,5-dimethyl-8-triethylsilyloxyocta-1,4-dien-3-ol

C16H32O2Si — CID 134857299

IUPAC(3R,4E)-2,5-dimethyl-8-triethylsilyloxyocta-1,4-dien-3-ol
SMILESC=C(C)[C@H](O)/C=C(\C)CCCO[Si](CC)(CC)CC
InChIInChI=1S/C16H32O2Si/c1-7-19(8-2,9-3)18-12-10-11-15(6)13-16(17)14(4)5/h13,16-17H,4,7-12H2,1-3,5-6H3/b15-13+/t16-/m1/s1
InChIKeyWGKHOJMDXXQTTC-QJPKHSJYSA-N
MW284.52 g/mol
LogP4.67
Rot. Bonds10

About (3R,4E)-2,5-dimethyl-8-triethylsilyloxyocta-1,4-dien-3-ol

(3R,4E)-2,5-dimethyl-8-triethylsilyloxyocta-1,4-dien-3-ol (PubChem CID 134857299) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (3R,4E)-2,5-dimethyl-8-triethylsilyloxyocta-1,4-dien-3-ol.

Molecular Properties

Compound Name(3R,4E)-2,5-dimethyl-8-triethylsilyloxyocta-1,4-dien-3-ol
PubChem CID134857299
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(3R,4E)-2,5-dimethyl-8-triethylsilyloxyocta-1,4-dien-3-ol
SMILESC=C(C)[C@H](O)/C=C(\C)CCCO[Si](CC)(CC)CC
InChIInChI=1S/C16H32O2Si/c1-7-19(8-2,9-3)18-12-10-11-15(6)13-16(17)14(4)5/h13,16-17H,4,7-12H2,1-3,5-6H3/b15-13+/t16-/m1/s1
InChIKeyWGKHOJMDXXQTTC-QJPKHSJYSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.67
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

(2E,6Z,10E,12R)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraene-1,12-diol
CID 163099873
2-Cyclopenten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, cis-
CID 10176747
2-{[(Tert-butyldimethylsilyl)oxy]methyl}cyclohex-2-en-1-ol
CID 85788879
(Z)-2-methyl-3-(trimethylsilylmethyl)oct-3-ene-2,7-diol
CID 13508268
(E)-3-methyl-6-triethylsilyloxyhex-2-en-1-ol
CID 101521913
(9s,5z,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706267
(9s,5e,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706328
(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
Rel-(1R,4S)-4-((tert-butyldimethylsilyl)oxy)cyclopent-2-en-1-ol
CID 10910904
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 11020261
(1r, 3r)-1-(Tert-butyl-dimethylsiloxy)-3-hydroxy-4-cyclopentene
CID 10878531
(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-1-ol
CID 13618185

Frequently Asked Questions

What is the IUPAC name of (3R,4E)-2,5-dimethyl-8-triethylsilyloxyocta-1,4-dien-3-ol?
The IUPAC name of (3R,4E)-2,5-dimethyl-8-triethylsilyloxyocta-1,4-dien-3-ol (CID 134857299) is (3R,4E)-2,5-dimethyl-8-triethylsilyloxyocta-1,4-dien-3-ol.
What is the SMILES notation for (3R,4E)-2,5-dimethyl-8-triethylsilyloxyocta-1,4-dien-3-ol?
The canonical SMILES for (3R,4E)-2,5-dimethyl-8-triethylsilyloxyocta-1,4-dien-3-ol is C=C(C)[C@H](O)/C=C(\C)CCCO[Si](CC)(CC)CC.
What is the InChIKey of (3R,4E)-2,5-dimethyl-8-triethylsilyloxyocta-1,4-dien-3-ol?
The InChIKey is WGKHOJMDXXQTTC-QJPKHSJYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-7-19(8-2,9-3)18-12-10-11-15(6)13-16(17)14(4)5/h13,16-17H,4,7-12H2,1-3,5-6H3/b15-13+/t16-/m1/s1.
What are the key properties of (3R,4E)-2,5-dimethyl-8-triethylsilyloxyocta-1,4-dien-3-ol?
(3R,4E)-2,5-dimethyl-8-triethylsilyloxyocta-1,4-dien-3-ol has a molecular weight of 284.52 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4E)-2,5-dimethyl-8-triethylsilyloxyocta-1,4-dien-3-ol is sourced from PubChem (CID 134857299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).