(Z,24R)-24-[tert-butyl(dimethyl)silyl]oxytriacont-21-en-13-one

C36H72O2Si — CID 140736947

IUPAC(Z,24R)-24-[tert-butyl(dimethyl)silyl]oxytriacont-21-en-13-one
SMILESCCCCCCCCCCCCC(=O)CCCCCCC/C=C\C[C@@H](CCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C36H72O2Si/c1-8-10-12-14-15-16-17-20-23-26-30-34(37)31-27-24-21-18-19-22-25-29-33-35(32-28-13-11-9-2)38-39(6,7)36(3,4)5/h25,29,35H,8-24,26-28,30-33H2,1-7H3/b29-25-/t35-/m1/s1
InChIKeyIIZIEHINCONAOD-GJKNWKQGSA-N
MW565.06 g/mol
LogP12.90
Rot. Bonds28

About (Z,24R)-24-[tert-butyl(dimethyl)silyl]oxytriacont-21-en-13-one

(Z,24R)-24-[tert-butyl(dimethyl)silyl]oxytriacont-21-en-13-one (PubChem CID 140736947) has the molecular formula C36H72O2Si and a molecular weight of 565.06 g/mol. Its IUPAC name is (Z,24R)-24-[tert-butyl(dimethyl)silyl]oxytriacont-21-en-13-one.

Molecular Properties

Compound Name(Z,24R)-24-[tert-butyl(dimethyl)silyl]oxytriacont-21-en-13-one
PubChem CID140736947
Molecular FormulaC36H72O2Si
Molecular Weight565.06 g/mol
Exact Mass564.53
IUPAC Name(Z,24R)-24-[tert-butyl(dimethyl)silyl]oxytriacont-21-en-13-one
SMILESCCCCCCCCCCCCC(=O)CCCCCCC/C=C\C[C@@H](CCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C36H72O2Si/c1-8-10-12-14-15-16-17-20-23-26-30-34(37)31-27-24-21-18-19-22-25-29-33-35(32-28-13-11-9-2)38-39(6,7)36(3,4)5/h25,29,35H,8-24,26-28,30-33H2,1-7H3/b29-25-/t35-/m1/s1
InChIKeyIIZIEHINCONAOD-GJKNWKQGSA-N
XLogP12.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.06
LogP ≤ 512.90
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,24R)-24-[tert-butyl(dimethyl)silyl]oxytriacont-21-en-13-one?
The IUPAC name of (Z,24R)-24-[tert-butyl(dimethyl)silyl]oxytriacont-21-en-13-one (CID 140736947) is (Z,24R)-24-[tert-butyl(dimethyl)silyl]oxytriacont-21-en-13-one.
What is the SMILES notation for (Z,24R)-24-[tert-butyl(dimethyl)silyl]oxytriacont-21-en-13-one?
The canonical SMILES for (Z,24R)-24-[tert-butyl(dimethyl)silyl]oxytriacont-21-en-13-one is CCCCCCCCCCCCC(=O)CCCCCCC/C=C\C[C@@H](CCCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,24R)-24-[tert-butyl(dimethyl)silyl]oxytriacont-21-en-13-one?
The InChIKey is IIZIEHINCONAOD-GJKNWKQGSA-N. The full InChI is InChI=1S/C36H72O2Si/c1-8-10-12-14-15-16-17-20-23-26-30-34(37)31-27-24-21-18-19-22-25-29-33-35(32-28-13-11-9-2)38-39(6,7)36(3,4)5/h25,29,35H,8-24,26-28,30-33H2,1-7H3/b29-25-/t35-/m1/s1.
What are the key properties of (Z,24R)-24-[tert-butyl(dimethyl)silyl]oxytriacont-21-en-13-one?
(Z,24R)-24-[tert-butyl(dimethyl)silyl]oxytriacont-21-en-13-one has a molecular weight of 565.06 g/mol, XLogP of 12.90, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,24R)-24-[tert-butyl(dimethyl)silyl]oxytriacont-21-en-13-one is sourced from PubChem (CID 140736947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).