2-(2-decoxyethoxy)ethyl acetate

C16H32O4 — CID 526732

IUPAC2-(2-decoxyethoxy)ethyl acetate
SMILESCCCCCCCCCCOCCOCCOC(C)=O
InChIInChI=1S/C16H32O4/c1-3-4-5-6-7-8-9-10-11-18-12-13-19-14-15-20-16(2)17/h3-15H2,1-2H3
InChIKeyASRPERSRLFXPEG-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.72
Rot. Bonds15

About 2-(2-decoxyethoxy)ethyl acetate

2-(2-decoxyethoxy)ethyl acetate (PubChem CID 526732) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-(2-decoxyethoxy)ethyl acetate.

Molecular Properties

Compound Name2-(2-decoxyethoxy)ethyl acetate
PubChem CID526732
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Name2-(2-decoxyethoxy)ethyl acetate
SMILESCCCCCCCCCCOCCOCCOC(C)=O
InChIInChI=1S/C16H32O4/c1-3-4-5-6-7-8-9-10-11-18-12-13-19-14-15-20-16(2)17/h3-15H2,1-2H3
InChIKeyASRPERSRLFXPEG-UHFFFAOYSA-N
XLogP3.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.72
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

potassium;hydride;2-tetradecoxyethyl acetate
CID 174815000
3-octoxypropyl acetate
CID 21272964
2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate
CID 158130160
2-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428192
2-butoxyethyl acetate;silver
CID 87311971
2-(2-butoxyethoxy)ethyl acetate;methane
CID 87739734
2-butoxyethyl acetate;2-propoxyethyl acetate
CID 88726109
2-butoxyethyl acetate;propyl acetate
CID 19764185
2-acetyloxyethyl acetate;hexane
CID 137406148
1-(2-butoxyethoxy)butane;2-methoxyethyl acetate
CID 90456855
2-(2-butoxyethoxy)ethanol;pentyl acetate
CID 159514789
alumane;hexyl acetate
CID 174832794

Frequently Asked Questions

What is the IUPAC name of 2-(2-decoxyethoxy)ethyl acetate?
The IUPAC name of 2-(2-decoxyethoxy)ethyl acetate (CID 526732) is 2-(2-decoxyethoxy)ethyl acetate.
What is the SMILES notation for 2-(2-decoxyethoxy)ethyl acetate?
The canonical SMILES for 2-(2-decoxyethoxy)ethyl acetate is CCCCCCCCCCOCCOCCOC(C)=O.
What is the InChIKey of 2-(2-decoxyethoxy)ethyl acetate?
The InChIKey is ASRPERSRLFXPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4/c1-3-4-5-6-7-8-9-10-11-18-12-13-19-14-15-20-16(2)17/h3-15H2,1-2H3.
What are the key properties of 2-(2-decoxyethoxy)ethyl acetate?
2-(2-decoxyethoxy)ethyl acetate has a molecular weight of 288.43 g/mol, XLogP of 3.72, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-decoxyethoxy)ethyl acetate is sourced from PubChem (CID 526732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).