2-acetyloxyethyl acetate;hexane

C12H24O4 — CID 137406148

IUPAC2-acetyloxyethyl acetate;hexane
SMILESCC(=O)OCCOC(C)=O.CCCCCC
InChIInChI=1S/C6H10O4.C6H14/c1-5(7)9-3-4-10-6(2)8;1-3-5-6-4-2/h3-4H2,1-2H3;3-6H2,1-2H3
InChIKeyRVVYRBHSOYEWPY-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.70
Rot. Bonds6

About 2-acetyloxyethyl acetate;hexane

2-acetyloxyethyl acetate;hexane (PubChem CID 137406148) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-acetyloxyethyl acetate;hexane.

Molecular Properties

Compound Name2-acetyloxyethyl acetate;hexane
PubChem CID137406148
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-acetyloxyethyl acetate;hexane
SMILESCC(=O)OCCOC(C)=O.CCCCCC
InChIInChI=1S/C6H10O4.C6H14/c1-5(7)9-3-4-10-6(2)8;1-3-5-6-4-2/h3-4H2,1-2H3;3-6H2,1-2H3
InChIKeyRVVYRBHSOYEWPY-UHFFFAOYSA-N
XLogP2.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.70
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

octane;propyl acetate
CID 174786724
alumane;hexyl acetate
CID 174832794
azane;tetradecyl acetate
CID 87432458
magnesium;hydride;pentyl acetate
CID 174803356
CID 162323537
CID 162323537
2-(2-decoxyethoxy)ethyl acetate
CID 526732
2-acetyloxyethyl hexanoate
CID 21336001
CID 159701402
CID 159701402
CID 159328585
CID 159328585
CID 87429945
CID 87429945
ethene;nonyl acetate
CID 170451195
ethanol;hexadecyl acetate
CID 87919670

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl acetate;hexane?
The IUPAC name of 2-acetyloxyethyl acetate;hexane (CID 137406148) is 2-acetyloxyethyl acetate;hexane.
What is the SMILES notation for 2-acetyloxyethyl acetate;hexane?
The canonical SMILES for 2-acetyloxyethyl acetate;hexane is CC(=O)OCCOC(C)=O.CCCCCC.
What is the InChIKey of 2-acetyloxyethyl acetate;hexane?
The InChIKey is RVVYRBHSOYEWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.C6H14/c1-5(7)9-3-4-10-6(2)8;1-3-5-6-4-2/h3-4H2,1-2H3;3-6H2,1-2H3.
What are the key properties of 2-acetyloxyethyl acetate;hexane?
2-acetyloxyethyl acetate;hexane has a molecular weight of 232.32 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl acetate;hexane is sourced from PubChem (CID 137406148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).