(2E,4E)-5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dien-1-ol

C18H34O2Si — CID 134833662

IUPAC(2E,4E)-5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dien-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCCC[C@H]1/C=C/C=C/CO
InChIInChI=1S/C18H34O2Si/c1-18(2,3)21(4,5)20-15-17-13-9-8-12-16(17)11-7-6-10-14-19/h6-7,10-11,16-17,19H,8-9,12-15H2,1-5H3/b10-6+,11-7+/t16-,17+/m1/s1
InChIKeyMFVJLYYNXCSXMG-WPQIXHCWSA-N
MW310.55 g/mol
LogP4.92
Rot. Bonds6

About (2E,4E)-5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dien-1-ol

(2E,4E)-5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dien-1-ol (PubChem CID 134833662) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (2E,4E)-5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dien-1-ol
PubChem CID134833662
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(2E,4E)-5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dien-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCCC[C@H]1/C=C/C=C/CO
InChIInChI=1S/C18H34O2Si/c1-18(2,3)21(4,5)20-15-17-13-9-8-12-16(17)11-7-6-10-14-19/h6-7,10-11,16-17,19H,8-9,12-15H2,1-5H3/b10-6+,11-7+/t16-,17+/m1/s1
InChIKeyMFVJLYYNXCSXMG-WPQIXHCWSA-N
XLogP4.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627
(2E,4E)-5-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dien-1-ol
CID 49793326
[(1S,2S)-2-[(1E)-buta-1,3-dienyl]cyclohexyl]methoxy-tert-butyl-dimethylsilane
CID 134855624
tert-butyl-dimethyl-[[(1S,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane
CID 134855716
(E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-en-1-ol
CID 134973101
2-Penten-1-ol, 5-(2-(((1,1-dimethylethyl)dimethylsilyl)oxy)cyclohexyl)-, methyl ester, (1alpha(Z),2beta)-
CID 6442548
2-Penten-1-ol, 5-(2-(((1,1-dimethylethyl)dimethylsilyl)oxy)cyclohexyl)-, (1alpha(E),2beta)-
CID 6442586
2-Buten-1-ol, 4-(2-(((1,1-dimethylethyl)dimethylsilyl)oxy)cyclohexyl)-3-methyl-, (1alpha(E),2beta)-
CID 6442719
Cyclohexanemethanol, 2-(((1,1-dimethylethyl)dimethylsilyl)oxy)-alpha-1-propen-1-yl-
CID 6442723
2-Buten-1-ol, 4-(2-(((1,1-dimethylethyl)dimethylsilyl)oxy)cyclohexyl)-2-methyl-, (1alpha(E),2beta)-
CID 6442725
(1S,7S,8S)-8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-7-methyl-1,2,3,4,7,8-hexahydronaphthalen-1-ol
CID 9997172
tert-butyl-dimethyl-[[(1R,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane
CID 10685251

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dien-1-ol (CID 134833662) is (2E,4E)-5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dien-1-ol is CC(C)(C)[Si](C)(C)OC[C@@H]1CCCC[C@H]1/C=C/C=C/CO.
What is the InChIKey of (2E,4E)-5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dien-1-ol?
The InChIKey is MFVJLYYNXCSXMG-WPQIXHCWSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-18(2,3)21(4,5)20-15-17-13-9-8-12-16(17)11-7-6-10-14-19/h6-7,10-11,16-17,19H,8-9,12-15H2,1-5H3/b10-6+,11-7+/t16-,17+/m1/s1.
What are the key properties of (2E,4E)-5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dien-1-ol?
(2E,4E)-5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dien-1-ol has a molecular weight of 310.55 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dien-1-ol is sourced from PubChem (CID 134833662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).