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

C17H34O2Si — CID 10334877

IUPAC(2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol
SMILESC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)/C=C/CCCC
InChIInChI=1S/C17H34O2Si/c1-8-10-11-12-14-15(18)16(13-9-2)19-20(6,7)17(3,4)5/h9,12-16,18H,8,10-11H2,1-7H3/b13-9+,14-12+/t15-,16-/m0/s1
InChIKeyZZRVPEZAELRXKJ-XBLHQLAKSA-N
MW298.54 g/mol
LogP5.06
Rot. Bonds8

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

(2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol (PubChem CID 10334877) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol.

Molecular Properties

Compound Name(2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol
PubChem CID10334877
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol
SMILESC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)/C=C/CCCC
InChIInChI=1S/C17H34O2Si/c1-8-10-11-12-14-15(18)16(13-9-2)19-20(6,7)17(3,4)5/h9,12-16,18H,8,10-11H2,1-7H3/b13-9+,14-12+/t15-,16-/m0/s1
InChIKeyZZRVPEZAELRXKJ-XBLHQLAKSA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.06
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'}

Analyze (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol with MolForge

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Related Compounds

(2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol
CID 10706254
ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate
CID 101498297
(2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol
CID 134992697
(1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol
CID 177475405
[(2E,6E)-8-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyocta-2,6-dienyl] acetate
CID 6367320
(Z,5S,6S)-12-[tert-butyl(dimethyl)silyl]oxydodec-7-ene-5,6-diol
CID 10853935
(E,2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-amine
CID 12989721
tert-butyl-dimethyl-[(1Z,3E)-octa-1,3-dienoxy]silane
CID 11615647
tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane
CID 134856373
(Z,2S,3R)-non-4-ene-2,3-diol
CID 11321105
(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-ol
CID 10634072
(5S,6R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dien-1-ol
CID 90951994

Frequently Asked Questions

What is the IUPAC name of (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol?
The IUPAC name of (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol (CID 10334877) is (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol.
What is the SMILES notation for (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol?
The canonical SMILES for (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol is C/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)/C=C/CCCC.
What is the InChIKey of (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol?
The InChIKey is ZZRVPEZAELRXKJ-XBLHQLAKSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-8-10-11-12-14-15(18)16(13-9-2)19-20(6,7)17(3,4)5/h9,12-16,18H,8,10-11H2,1-7H3/b13-9+,14-12+/t15-,16-/m0/s1.
What are the key properties of (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol?
(2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol has a molecular weight of 298.54 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol is sourced from PubChem (CID 10334877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).