bis(2-acetyloxyethyl acetate);amino acetate

C14H25NO10 — CID 87902922

IUPACbis(2-acetyloxyethyl acetate);amino acetate
SMILESCC(=O)OCCOC(C)=O.CC(=O)OCCOC(C)=O.CC(=O)ON
InChIInChI=1S/2C6H10O4.C2H5NO2/c2*1-5(7)9-3-4-10-6(2)8;1-2(4)5-3/h2*3-4H2,1-2H3;3H2,1H3
InChIKeyYOSDRYRGAZJWCF-UHFFFAOYSA-N
MW367.35 g/mol
LogP-0.35
Rot. Bonds6

About bis(2-acetyloxyethyl acetate);amino acetate

bis(2-acetyloxyethyl acetate);amino acetate (PubChem CID 87902922) has the molecular formula C14H25NO10 and a molecular weight of 367.35 g/mol. Its IUPAC name is bis(2-acetyloxyethyl acetate);amino acetate.

Molecular Properties

Compound Namebis(2-acetyloxyethyl acetate);amino acetate
PubChem CID87902922
Molecular FormulaC14H25NO10
Molecular Weight367.35 g/mol
Exact Mass367.15
IUPAC Namebis(2-acetyloxyethyl acetate);amino acetate
SMILESCC(=O)OCCOC(C)=O.CC(=O)OCCOC(C)=O.CC(=O)ON
InChIInChI=1S/2C6H10O4.C2H5NO2/c2*1-5(7)9-3-4-10-6(2)8;1-2(4)5-3/h2*3-4H2,1-2H3;3H2,1H3
InChIKeyYOSDRYRGAZJWCF-UHFFFAOYSA-N
XLogP-0.35
TPSA157.52 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.35
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 158105337
CID 158105337
CID 158128480
CID 158128480
acetic acid;2-acetyloxyethyl acetate;azane
CID 18969564
amino acetate;methanol
CID 174604339
2-acetyloxyethyl acetate;silyl acetate
CID 173024816
amino acetate;butane
CID 90344227
2-acetyloxyethyl acetate;buta-1,3-diene
CID 87510767
2-acetyloxyethyl acetate;hexane
CID 137406148
magnesium;amino acetate;hydride
CID 173289469
11-acetyloxyundecyl acetate
CID 87784419
cyclopropane;2-methoxyethyl acetate
CID 69413766
CID 159328585
CID 159328585

Frequently Asked Questions

What is the IUPAC name of bis(2-acetyloxyethyl acetate);amino acetate?
The IUPAC name of bis(2-acetyloxyethyl acetate);amino acetate (CID 87902922) is bis(2-acetyloxyethyl acetate);amino acetate.
What is the SMILES notation for bis(2-acetyloxyethyl acetate);amino acetate?
The canonical SMILES for bis(2-acetyloxyethyl acetate);amino acetate is CC(=O)OCCOC(C)=O.CC(=O)OCCOC(C)=O.CC(=O)ON.
What is the InChIKey of bis(2-acetyloxyethyl acetate);amino acetate?
The InChIKey is YOSDRYRGAZJWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10O4.C2H5NO2/c2*1-5(7)9-3-4-10-6(2)8;1-2(4)5-3/h2*3-4H2,1-2H3;3H2,1H3.
What are the key properties of bis(2-acetyloxyethyl acetate);amino acetate?
bis(2-acetyloxyethyl acetate);amino acetate has a molecular weight of 367.35 g/mol, XLogP of -0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-acetyloxyethyl acetate);amino acetate is sourced from PubChem (CID 87902922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).