(Z,2R,3R)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxyoctadec-4-ene-1,3-diol

C30H64O3Si2 — CID 11455339

IUPAC(Z,2R,3R)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxyoctadec-4-ene-1,3-diol
SMILESCCCCCCCCCCCCC/C(=C/[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H64O3Si2/c1-12-13-14-15-16-17-18-19-20-21-22-23-26(34(8,9)29(2,3)4)24-27(32)28(25-31)33-35(10,11)30(5,6)7/h24,27-28,31-32H,12-23,25H2,1-11H3/b26-24-/t27-,28-/m1/s1
InChIKeyQAAHWEKBTSORSK-FGXUYDSDSA-N
MW529.01 g/mol
LogP9.41
Rot. Bonds18

About (Z,2R,3R)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxyoctadec-4-ene-1,3-diol

(Z,2R,3R)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxyoctadec-4-ene-1,3-diol (PubChem CID 11455339) has the molecular formula C30H64O3Si2 and a molecular weight of 529.01 g/mol. Its IUPAC name is (Z,2R,3R)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxyoctadec-4-ene-1,3-diol.

Molecular Properties

Compound Name(Z,2R,3R)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxyoctadec-4-ene-1,3-diol
PubChem CID11455339
Molecular FormulaC30H64O3Si2
Molecular Weight529.01 g/mol
Exact Mass528.44
IUPAC Name(Z,2R,3R)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxyoctadec-4-ene-1,3-diol
SMILESCCCCCCCCCCCCC/C(=C/[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H64O3Si2/c1-12-13-14-15-16-17-18-19-20-21-22-23-26(34(8,9)29(2,3)4)24-27(32)28(25-31)33-35(10,11)30(5,6)7/h24,27-28,31-32H,12-23,25H2,1-11H3/b26-24-/t27-,28-/m1/s1
InChIKeyQAAHWEKBTSORSK-FGXUYDSDSA-N
XLogP9.41
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.01
LogP ≤ 59.41
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'}

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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,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11569387
(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol
CID 11440071
(3E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-3,6-dien-2-ol
CID 14494227
(E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol
CID 15182176
(1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol
CID 15543738
(2R,3R,4Z,8E,10E)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-9-methyloctadeca-4,8,10-triene-1,3-diol
CID 45258501
(1R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclohex-2-en-1-ol
CID 53474127
(1S,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 91998628
(3E)-1-[tert-butyl(dimethyl)silyl]oxy-3-hexylnona-3,8-dien-2-ol
CID 101365455
(E,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol
CID 101778807
(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol
CID 102050109

Frequently Asked Questions

What is the IUPAC name of (Z,2R,3R)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxyoctadec-4-ene-1,3-diol?
The IUPAC name of (Z,2R,3R)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxyoctadec-4-ene-1,3-diol (CID 11455339) is (Z,2R,3R)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxyoctadec-4-ene-1,3-diol.
What is the SMILES notation for (Z,2R,3R)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxyoctadec-4-ene-1,3-diol?
The canonical SMILES for (Z,2R,3R)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxyoctadec-4-ene-1,3-diol is CCCCCCCCCCCCC/C(=C/[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,2R,3R)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxyoctadec-4-ene-1,3-diol?
The InChIKey is QAAHWEKBTSORSK-FGXUYDSDSA-N. The full InChI is InChI=1S/C30H64O3Si2/c1-12-13-14-15-16-17-18-19-20-21-22-23-26(34(8,9)29(2,3)4)24-27(32)28(25-31)33-35(10,11)30(5,6)7/h24,27-28,31-32H,12-23,25H2,1-11H3/b26-24-/t27-,28-/m1/s1.
What are the key properties of (Z,2R,3R)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxyoctadec-4-ene-1,3-diol?
(Z,2R,3R)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxyoctadec-4-ene-1,3-diol has a molecular weight of 529.01 g/mol, XLogP of 9.41, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,3R)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxyoctadec-4-ene-1,3-diol is sourced from PubChem (CID 11455339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).