ethyl (5R)-5-acetyloxyundecanoate

C15H28O4 — CID 11173329

IUPACethyl (5R)-5-acetyloxyundecanoate
SMILESCCCCCC[C@H](CCCC(=O)OCC)OC(C)=O
InChIInChI=1S/C15H28O4/c1-4-6-7-8-10-14(19-13(3)16)11-9-12-15(17)18-5-2/h14H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyNAGMRRULDXPZKV-CQSZACIVSA-N
MW272.38 g/mol
LogP3.62
Rot. Bonds11

About ethyl (5R)-5-acetyloxyundecanoate

ethyl (5R)-5-acetyloxyundecanoate (PubChem CID 11173329) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is ethyl (5R)-5-acetyloxyundecanoate.

Molecular Properties

Compound Nameethyl (5R)-5-acetyloxyundecanoate
PubChem CID11173329
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Nameethyl (5R)-5-acetyloxyundecanoate
SMILESCCCCCC[C@H](CCCC(=O)OCC)OC(C)=O
InChIInChI=1S/C15H28O4/c1-4-6-7-8-10-14(19-13(3)16)11-9-12-15(17)18-5-2/h14H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyNAGMRRULDXPZKV-CQSZACIVSA-N
XLogP3.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(9-acetyloxyoctadecanoyloxy)propyl 8-acetyloxyoctadecanoate
CID 166581991
3-(10-acetyloxyhexadecanoyloxy)propyl 14-acetyloxyicosanoate
CID 166582210
9-(10-acetyloxyoctadecanoyloxy)nonyl 9-acetyloxyoctadecanoate
CID 166582077
ethyl 7-[4-acetyloxynonyl(cyano)amino]heptanoate
CID 71444712
ethyl (6S)-6-acetyloxy-8-propoxyoctanoate
CID 141169874
7-O,7-O-ditert-butyl 1-O-ethyl 11-acetyloxyhexadecane-1,7,7-tricarboxylate
CID 21317623
2,2-bis(9-acetyloxyoctadecanoyloxymethyl)butyl 9-acetyloxyoctadecanoate
CID 166582209
methyl 9-acetyloxyoctadecanoate;methyl 9,13-diacetyloxyoctadecanoate;methyl hexadecanoate;methyl octadecanoate
CID 159123511
[(7S)-3-oxotridecan-7-yl] acetate
CID 100989517
ethyl 5-hydroxyhexadecanoate
CID 171612820
ethyl 12-octadec-9-enoyloxyoctadecanoate
CID 91498205
bis[(Z)-non-2-enyl] 10-acetyloxynonadecanedioate
CID 171792484

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-5-acetyloxyundecanoate?
The IUPAC name of ethyl (5R)-5-acetyloxyundecanoate (CID 11173329) is ethyl (5R)-5-acetyloxyundecanoate.
What is the SMILES notation for ethyl (5R)-5-acetyloxyundecanoate?
The canonical SMILES for ethyl (5R)-5-acetyloxyundecanoate is CCCCCC[C@H](CCCC(=O)OCC)OC(C)=O.
What is the InChIKey of ethyl (5R)-5-acetyloxyundecanoate?
The InChIKey is NAGMRRULDXPZKV-CQSZACIVSA-N. The full InChI is InChI=1S/C15H28O4/c1-4-6-7-8-10-14(19-13(3)16)11-9-12-15(17)18-5-2/h14H,4-12H2,1-3H3/t14-/m1/s1.
What are the key properties of ethyl (5R)-5-acetyloxyundecanoate?
ethyl (5R)-5-acetyloxyundecanoate has a molecular weight of 272.38 g/mol, XLogP of 3.62, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-5-acetyloxyundecanoate is sourced from PubChem (CID 11173329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).