acetic acid;2-acetyloxyethyl acetate;azane

C10H24N2O8 — CID 18969564

IUPACacetic acid;2-acetyloxyethyl acetate;azane
SMILESCC(=O)O.CC(=O)O.CC(=O)OCCOC(C)=O.N.N
InChIInChI=1S/C6H10O4.2C2H4O2.2H3N/c1-5(7)9-3-4-10-6(2)8;2*1-2(3)4;;/h3-4H2,1-2H3;2*1H3,(H,3,4);2*1H3
InChIKeyKNIBJGCOKXHOHC-UHFFFAOYSA-N
MW300.31 g/mol
LogP0.62
Rot. Bonds3

About acetic acid;2-acetyloxyethyl acetate;azane

acetic acid;2-acetyloxyethyl acetate;azane (PubChem CID 18969564) has the molecular formula C10H24N2O8 and a molecular weight of 300.31 g/mol. Its IUPAC name is acetic acid;2-acetyloxyethyl acetate;azane.

Molecular Properties

Compound Nameacetic acid;2-acetyloxyethyl acetate;azane
PubChem CID18969564
Molecular FormulaC10H24N2O8
Molecular Weight300.31 g/mol
Exact Mass300.15
IUPAC Nameacetic acid;2-acetyloxyethyl acetate;azane
SMILESCC(=O)O.CC(=O)O.CC(=O)OCCOC(C)=O.N.N
InChIInChI=1S/C6H10O4.2C2H4O2.2H3N/c1-5(7)9-3-4-10-6(2)8;2*1-2(3)4;;/h3-4H2,1-2H3;2*1H3,(H,3,4);2*1H3
InChIKeyKNIBJGCOKXHOHC-UHFFFAOYSA-N
XLogP0.62
TPSA197.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis(2-acetyloxyethyl acetate);amino acetate
CID 87902922
2-acetyloxyethyl acetate;silyl acetate
CID 173024816
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CID 158105337
acetic acid;azane;ethyl acetate
CID 25050725
acetic acid;butyl acetate
CID 158450873
acetic acid;acetyloxymethyl acetate
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CID 158128480
CID 158128480
2-acetyloxyethyl acetate;hexane
CID 137406148
2-acetyloxyethyl acetate;buta-1,3-diene
CID 87510767
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CID 87784419
acetic acid;2-phenylethyl acetate
CID 174791962
2-methoxyethyl acetate;2-methylprop-2-enoic acid
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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-acetyloxyethyl acetate;azane?
The IUPAC name of acetic acid;2-acetyloxyethyl acetate;azane (CID 18969564) is acetic acid;2-acetyloxyethyl acetate;azane.
What is the SMILES notation for acetic acid;2-acetyloxyethyl acetate;azane?
The canonical SMILES for acetic acid;2-acetyloxyethyl acetate;azane is CC(=O)O.CC(=O)O.CC(=O)OCCOC(C)=O.N.N.
What is the InChIKey of acetic acid;2-acetyloxyethyl acetate;azane?
The InChIKey is KNIBJGCOKXHOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.2C2H4O2.2H3N/c1-5(7)9-3-4-10-6(2)8;2*1-2(3)4;;/h3-4H2,1-2H3;2*1H3,(H,3,4);2*1H3.
What are the key properties of acetic acid;2-acetyloxyethyl acetate;azane?
acetic acid;2-acetyloxyethyl acetate;azane has a molecular weight of 300.31 g/mol, XLogP of 0.62, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-acetyloxyethyl acetate;azane is sourced from PubChem (CID 18969564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).