(2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol

C14H28O2Si — CID 10706254

IUPAC(2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol
SMILESC/C=C/[C@@H](O)[C@H](/C=C/C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-10-12(15)13(11-9-2)16-17(6,7)14(3,4)5/h8-13,15H,1-7H3/b10-8+,11-9+/t12-,13+/m1/s1
InChIKeyJNCKVPWVRXRTQU-JZBURTHDSA-N
MW256.46 g/mol
LogP3.89
Rot. Bonds5

About (2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol

(2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol (PubChem CID 10706254) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol.

Molecular Properties

Compound Name(2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol
PubChem CID10706254
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol
SMILESC/C=C/[C@@H](O)[C@H](/C=C/C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-10-12(15)13(11-9-2)16-17(6,7)14(3,4)5/h8-13,15H,1-7H3/b10-8+,11-9+/t12-,13+/m1/s1
InChIKeyJNCKVPWVRXRTQU-JZBURTHDSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol
CID 10334877
(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-enal
CID 10955754
ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate
CID 101498297
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
CID 14175294
(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol
CID 102328317
tert-butyl-[(2E,4R,5R,6E,8E)-5,7-dimethyldeca-2,6,8-trien-4-yl]oxy-dimethylsilane
CID 10266482
(2S,3S,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-6-ene-1,5-diol
CID 91516629
(E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal
CID 101391066
[(2E,6E)-8-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyocta-2,6-dienyl] acetate
CID 6367320
(1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol
CID 177475405
1-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-amine
CID 175848206
tert-butyl-[(E,1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-3-enoxy]-dimethylsilane
CID 10693040

Frequently Asked Questions

What is the IUPAC name of (2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol?
The IUPAC name of (2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol (CID 10706254) is (2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol.
What is the SMILES notation for (2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol?
The canonical SMILES for (2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol is C/C=C/[C@@H](O)[C@H](/C=C/C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol?
The InChIKey is JNCKVPWVRXRTQU-JZBURTHDSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-8-10-12(15)13(11-9-2)16-17(6,7)14(3,4)5/h8-13,15H,1-7H3/b10-8+,11-9+/t12-,13+/m1/s1.
What are the key properties of (2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol?
(2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol has a molecular weight of 256.46 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol is sourced from PubChem (CID 10706254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).