ethyl 5-formyloxydecanoate

C13H24O4 — CID 71468629

IUPACethyl 5-formyloxydecanoate
SMILESCCCCCC(CCCC(=O)OCC)OC=O
InChIInChI=1S/C13H24O4/c1-3-5-6-8-12(17-11-14)9-7-10-13(15)16-4-2/h11-12H,3-10H2,1-2H3
InChIKeyQFNRRKOXUZESMQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.84
Rot. Bonds11

About ethyl 5-formyloxydecanoate

ethyl 5-formyloxydecanoate (PubChem CID 71468629) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 5-formyloxydecanoate.

Molecular Properties

Compound Nameethyl 5-formyloxydecanoate
PubChem CID71468629
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Nameethyl 5-formyloxydecanoate
SMILESCCCCCC(CCCC(=O)OCC)OC=O
InChIInChI=1S/C13H24O4/c1-3-5-6-8-12(17-11-14)9-7-10-13(15)16-4-2/h11-12H,3-10H2,1-2H3
InChIKeyQFNRRKOXUZESMQ-UHFFFAOYSA-N
XLogP2.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 5-acetoxyhexanoate
CID 526152
Ethyl 5-acetoxyoctanoate
CID 118225
Ethyl 5-hydroxydecanoate
CID 13580494
Ethyl 5-hydroxyoctanoate
CID 6432923
Octanoic acid, 5-(acetyloxy)-, methyl ester
CID 539496
Diisopropyl suberate
CID 14970431
Hexanoic acid, 5-(acetyloxy)-, ethyl ester
CID 529299
Diisopropyl azelate
CID 81377
methyl (5R)-5-methoxypentacosanoate
CID 162867002
methyl (5R)-5-methoxynonacosanoate
CID 162879608
methyl (5R)-5-methoxyheptacosanoate
CID 162979714
methyl (5R)-5-methoxytriacontanoate
CID 163033188

Frequently Asked Questions

What is the IUPAC name of ethyl 5-formyloxydecanoate?
The IUPAC name of ethyl 5-formyloxydecanoate (CID 71468629) is ethyl 5-formyloxydecanoate.
What is the SMILES notation for ethyl 5-formyloxydecanoate?
The canonical SMILES for ethyl 5-formyloxydecanoate is CCCCCC(CCCC(=O)OCC)OC=O.
What is the InChIKey of ethyl 5-formyloxydecanoate?
The InChIKey is QFNRRKOXUZESMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-3-5-6-8-12(17-11-14)9-7-10-13(15)16-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of ethyl 5-formyloxydecanoate?
ethyl 5-formyloxydecanoate has a molecular weight of 244.33 g/mol, XLogP of 2.84, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-formyloxydecanoate is sourced from PubChem (CID 71468629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).