14-pentyl-8-triethylsilyloxy-1-oxacyclotetradec-5-yn-2-one

C24H44O3Si — CID 631697

IUPAC14-pentyl-8-triethylsilyloxy-1-oxacyclotetradec-5-yn-2-one
SMILESCCCCCC1CCCCCC(O[Si](CC)(CC)CC)CC#CCCC(=O)O1
InChIInChI=1S/C24H44O3Si/c1-5-9-12-17-22-18-13-10-14-19-23(27-28(6-2,7-3)8-4)20-15-11-16-21-24(25)26-22/h22-23H,5-10,12-14,16-21H2,1-4H3
InChIKeyLFQKAPMHLVSXRH-UHFFFAOYSA-N
MW408.70 g/mol
LogP7.01
Rot. Bonds9

About 14-pentyl-8-triethylsilyloxy-1-oxacyclotetradec-5-yn-2-one

14-pentyl-8-triethylsilyloxy-1-oxacyclotetradec-5-yn-2-one (PubChem CID 631697) has the molecular formula C24H44O3Si and a molecular weight of 408.70 g/mol. Its IUPAC name is 14-pentyl-8-triethylsilyloxy-1-oxacyclotetradec-5-yn-2-one.

Molecular Properties

Compound Name14-pentyl-8-triethylsilyloxy-1-oxacyclotetradec-5-yn-2-one
PubChem CID631697
Molecular FormulaC24H44O3Si
Molecular Weight408.70 g/mol
Exact Mass408.31
IUPAC Name14-pentyl-8-triethylsilyloxy-1-oxacyclotetradec-5-yn-2-one
SMILESCCCCCC1CCCCCC(O[Si](CC)(CC)CC)CC#CCCC(=O)O1
InChIInChI=1S/C24H44O3Si/c1-5-9-12-17-22-18-13-10-14-19-23(27-28(6-2,7-3)8-4)20-15-11-16-21-24(25)26-22/h22-23H,5-10,12-14,16-21H2,1-4H3
InChIKeyLFQKAPMHLVSXRH-UHFFFAOYSA-N
XLogP7.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.70
LogP ≤ 57.01
H-Bond Donors ≤ 50
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate
CID 57327614
[(3R)-1-trimethylsilylnon-1-yn-3-yl] acetate
CID 71613021
1-Trimethylsilylnon-2-yn-4-yl acetate
CID 101413583
11-Tri(propan-2-yl)silylundec-10-ynyl acetate
CID 101472039
Methyl 14-trimethylsilyloxy-2-tetradecynoate
CID 129726234
Methyl 11-[tert-butyl(dimethyl)silyl]oxyundec-9-ynoate
CID 134843520
Ethyl 8-tri(propan-2-yl)silyloct-7-ynoate
CID 134850272
Methyl 4-[tert-butyl(dimethyl)silyl]oxynon-2-ynoate
CID 134862111
10-[Tert-butyl(dimethyl)silyl]oxydecan-2-yl acetate
CID 134979976
ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxydodec-2-ynoate
CID 135015259
Ethyl 9-tri(propan-2-yl)silylnon-8-ynoate
CID 176434461
1-Oxacyclotetradec-5-yn-2-one, 8-(t-butyldimethylsilyloxy)-14-[4-(t-butyldimethylsilyloxy)butyl]-
CID 554475

Frequently Asked Questions

What is the IUPAC name of 14-pentyl-8-triethylsilyloxy-1-oxacyclotetradec-5-yn-2-one?
The IUPAC name of 14-pentyl-8-triethylsilyloxy-1-oxacyclotetradec-5-yn-2-one (CID 631697) is 14-pentyl-8-triethylsilyloxy-1-oxacyclotetradec-5-yn-2-one.
What is the SMILES notation for 14-pentyl-8-triethylsilyloxy-1-oxacyclotetradec-5-yn-2-one?
The canonical SMILES for 14-pentyl-8-triethylsilyloxy-1-oxacyclotetradec-5-yn-2-one is CCCCCC1CCCCCC(O[Si](CC)(CC)CC)CC#CCCC(=O)O1.
What is the InChIKey of 14-pentyl-8-triethylsilyloxy-1-oxacyclotetradec-5-yn-2-one?
The InChIKey is LFQKAPMHLVSXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O3Si/c1-5-9-12-17-22-18-13-10-14-19-23(27-28(6-2,7-3)8-4)20-15-11-16-21-24(25)26-22/h22-23H,5-10,12-14,16-21H2,1-4H3.
What are the key properties of 14-pentyl-8-triethylsilyloxy-1-oxacyclotetradec-5-yn-2-one?
14-pentyl-8-triethylsilyloxy-1-oxacyclotetradec-5-yn-2-one has a molecular weight of 408.70 g/mol, XLogP of 7.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-pentyl-8-triethylsilyloxy-1-oxacyclotetradec-5-yn-2-one is sourced from PubChem (CID 631697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).