(Z,22R)-22-[tert-butyl(dimethyl)silyl]oxyoctacos-19-en-11-one

C34H68O2Si — CID 131749544

IUPAC(Z,22R)-22-[tert-butyl(dimethyl)silyl]oxyoctacos-19-en-11-one
SMILESCCCCCCCCCCC(=O)CCCCCCC/C=C\C[C@@H](CCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H68O2Si/c1-8-10-12-14-15-18-21-24-28-32(35)29-25-22-19-16-17-20-23-27-31-33(30-26-13-11-9-2)36-37(6,7)34(3,4)5/h23,27,33H,8-22,24-26,28-31H2,1-7H3/b27-23-/t33-/m1/s1
InChIKeyVNWRXESCHYVHDD-NDCNVVADSA-N
MW537.00 g/mol
LogP12.12
Rot. Bonds26

About (Z,22R)-22-[tert-butyl(dimethyl)silyl]oxyoctacos-19-en-11-one

(Z,22R)-22-[tert-butyl(dimethyl)silyl]oxyoctacos-19-en-11-one (PubChem CID 131749544) has the molecular formula C34H68O2Si and a molecular weight of 537.00 g/mol. Its IUPAC name is (Z,22R)-22-[tert-butyl(dimethyl)silyl]oxyoctacos-19-en-11-one.

Molecular Properties

Compound Name(Z,22R)-22-[tert-butyl(dimethyl)silyl]oxyoctacos-19-en-11-one
PubChem CID131749544
Molecular FormulaC34H68O2Si
Molecular Weight537.00 g/mol
Exact Mass536.50
IUPAC Name(Z,22R)-22-[tert-butyl(dimethyl)silyl]oxyoctacos-19-en-11-one
SMILESCCCCCCCCCCC(=O)CCCCCCC/C=C\C[C@@H](CCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H68O2Si/c1-8-10-12-14-15-18-21-24-28-32(35)29-25-22-19-16-17-20-23-27-31-33(30-26-13-11-9-2)36-37(6,7)34(3,4)5/h23,27,33H,8-22,24-26,28-31H2,1-7H3/b27-23-/t33-/m1/s1
InChIKeyVNWRXESCHYVHDD-NDCNVVADSA-N
XLogP12.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.00
LogP ≤ 512.12
H-Bond Donors ≤ 50
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'}

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Related Compounds

(E)-1-[tert-butyl(dimethyl)silyl]oxytridec-5-en-7-one
CID 101738214
(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyltridec-3-en-7-one
CID 102321146
(5R)-5-[tert-butyl(dimethyl)silyl]oxydec-9-en-3-one
CID 134966731
(E,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyltridec-7-en-2-one
CID 164683021
25-Trimethylsilyloxyhentriacontane-14,16-dione, O-mono-trimethylsilyl
CID 5366346
9-Trimethylsilyloxy-12-octadecenoic acid, methyl ester
CID 5366460
12-Trimethylsilyloxy-9-octadecenoic acid, trimethylsilyl ester
CID 5366665
16-Trimethylsilyloxy-9-octadecenoic acid, methyl ester
CID 6421149
15-Trimethylsilyloxy-9-octadecenoic acid, methyl ester
CID 6421153
Hexadec-9-enoic acid, 7-tert-butyldimethylsilyloxy-, methyl ester
CID 6421210
17-Trimethylsilyloxy-9-octadecenoic acid, methyl ester
CID 6422343
10-[Tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one
CID 11324012

Frequently Asked Questions

What is the IUPAC name of (Z,22R)-22-[tert-butyl(dimethyl)silyl]oxyoctacos-19-en-11-one?
The IUPAC name of (Z,22R)-22-[tert-butyl(dimethyl)silyl]oxyoctacos-19-en-11-one (CID 131749544) is (Z,22R)-22-[tert-butyl(dimethyl)silyl]oxyoctacos-19-en-11-one.
What is the SMILES notation for (Z,22R)-22-[tert-butyl(dimethyl)silyl]oxyoctacos-19-en-11-one?
The canonical SMILES for (Z,22R)-22-[tert-butyl(dimethyl)silyl]oxyoctacos-19-en-11-one is CCCCCCCCCCC(=O)CCCCCCC/C=C\C[C@@H](CCCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,22R)-22-[tert-butyl(dimethyl)silyl]oxyoctacos-19-en-11-one?
The InChIKey is VNWRXESCHYVHDD-NDCNVVADSA-N. The full InChI is InChI=1S/C34H68O2Si/c1-8-10-12-14-15-18-21-24-28-32(35)29-25-22-19-16-17-20-23-27-31-33(30-26-13-11-9-2)36-37(6,7)34(3,4)5/h23,27,33H,8-22,24-26,28-31H2,1-7H3/b27-23-/t33-/m1/s1.
What are the key properties of (Z,22R)-22-[tert-butyl(dimethyl)silyl]oxyoctacos-19-en-11-one?
(Z,22R)-22-[tert-butyl(dimethyl)silyl]oxyoctacos-19-en-11-one has a molecular weight of 537.00 g/mol, XLogP of 12.12, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,22R)-22-[tert-butyl(dimethyl)silyl]oxyoctacos-19-en-11-one is sourced from PubChem (CID 131749544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).