ethyl 6-aminooxyhexanoate

C8H17NO3 — CID 10559164

IUPACethyl 6-aminooxyhexanoate
SMILESCCOC(=O)CCCCCON
InChIInChI=1S/C8H17NO3/c1-2-11-8(10)6-4-3-5-7-12-9/h2-7,9H2,1H3
InChIKeyKOWHXWZAOIIGMW-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.00
Rot. Bonds7

About ethyl 6-aminooxyhexanoate

ethyl 6-aminooxyhexanoate (PubChem CID 10559164) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethyl 6-aminooxyhexanoate.

Molecular Properties

Compound Nameethyl 6-aminooxyhexanoate
PubChem CID10559164
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameethyl 6-aminooxyhexanoate
SMILESCCOC(=O)CCCCCON
InChIInChI=1S/C8H17NO3/c1-2-11-8(10)6-4-3-5-7-12-9/h2-7,9H2,1H3
InChIKeyKOWHXWZAOIIGMW-UHFFFAOYSA-N
XLogP1.00
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl icosanedioate
CID 5058538
diethyl hexanedioate
CID 160747628
sodium;diethyl decanedioate;hydride
CID 173076435
ethyl 5-methoxypentanoate
CID 21476247
ethyl undecanoate
CID 12327
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl 16-butoxyhexadecanoate
CID 56991029
(12-ethoxy-12-oxododecyl) 12-hydroxydodecanoate
CID 135019487
ethyl 6-bis(6-ethoxy-6-oxohexoxy)boranyloxyhexanoate
CID 135049216
ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate
CID 118671454

Frequently Asked Questions

What is the IUPAC name of ethyl 6-aminooxyhexanoate?
The IUPAC name of ethyl 6-aminooxyhexanoate (CID 10559164) is ethyl 6-aminooxyhexanoate.
What is the SMILES notation for ethyl 6-aminooxyhexanoate?
The canonical SMILES for ethyl 6-aminooxyhexanoate is CCOC(=O)CCCCCON.
What is the InChIKey of ethyl 6-aminooxyhexanoate?
The InChIKey is KOWHXWZAOIIGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-2-11-8(10)6-4-3-5-7-12-9/h2-7,9H2,1H3.
What are the key properties of ethyl 6-aminooxyhexanoate?
ethyl 6-aminooxyhexanoate has a molecular weight of 175.23 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-aminooxyhexanoate is sourced from PubChem (CID 10559164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).