(Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyundec-5-ene-1,2-diol

C17H36O3Si — CID 10805397

IUPAC(Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyundec-5-ene-1,2-diol
SMILESCCCCC/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO
InChIInChI=1S/C17H36O3Si/c1-7-8-9-10-11-12-13-16(15(19)14-18)20-21(5,6)17(2,3)4/h11-12,15-16,18-19H,7-10,13-14H2,1-6H3/b12-11-/t15-,16+/m1/s1
InChIKeyYIXAHBYHMNNSDC-WXJRXKGESA-N
MW316.56 g/mol
LogP4.26
Rot. Bonds10

About (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyundec-5-ene-1,2-diol

(Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyundec-5-ene-1,2-diol (PubChem CID 10805397) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyundec-5-ene-1,2-diol.

Molecular Properties

Compound Name(Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyundec-5-ene-1,2-diol
PubChem CID10805397
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Name(Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyundec-5-ene-1,2-diol
SMILESCCCCC/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO
InChIInChI=1S/C17H36O3Si/c1-7-8-9-10-11-12-13-16(15(19)14-18)20-21(5,6)17(2,3)4/h11-12,15-16,18-19H,7-10,13-14H2,1-6H3/b12-11-/t15-,16+/m1/s1
InChIKeyYIXAHBYHMNNSDC-WXJRXKGESA-N
XLogP4.26
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11696163
(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 10823268
(1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11569387
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 11715728
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 53483241
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 58012739
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol
CID 134831056
(Z,2R,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-ol
CID 10968145
Ctk2E3476
CID 11246239
(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol
CID 11440071
(Z,2R,3R)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxyoctadec-4-ene-1,3-diol
CID 11455339
(1S,2S,3S)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol
CID 11830190

Frequently Asked Questions

What is the IUPAC name of (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyundec-5-ene-1,2-diol?
The IUPAC name of (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyundec-5-ene-1,2-diol (CID 10805397) is (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyundec-5-ene-1,2-diol.
What is the SMILES notation for (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyundec-5-ene-1,2-diol?
The canonical SMILES for (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyundec-5-ene-1,2-diol is CCCCC/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO.
What is the InChIKey of (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyundec-5-ene-1,2-diol?
The InChIKey is YIXAHBYHMNNSDC-WXJRXKGESA-N. The full InChI is InChI=1S/C17H36O3Si/c1-7-8-9-10-11-12-13-16(15(19)14-18)20-21(5,6)17(2,3)4/h11-12,15-16,18-19H,7-10,13-14H2,1-6H3/b12-11-/t15-,16+/m1/s1.
What are the key properties of (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyundec-5-ene-1,2-diol?
(Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyundec-5-ene-1,2-diol has a molecular weight of 316.56 g/mol, XLogP of 4.26, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyundec-5-ene-1,2-diol is sourced from PubChem (CID 10805397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).