2-acetyloxyethyl hexanoate

C10H18O4 — CID 21336001

IUPAC2-acetyloxyethyl hexanoate
SMILESCCCCCC(=O)OCCOC(C)=O
InChIInChI=1S/C10H18O4/c1-3-4-5-6-10(12)14-8-7-13-9(2)11/h3-8H2,1-2H3
InChIKeyWCYNTBVCUYFRSV-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.67
Rot. Bonds7

About 2-acetyloxyethyl hexanoate

2-acetyloxyethyl hexanoate (PubChem CID 21336001) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-acetyloxyethyl hexanoate.

Molecular Properties

Compound Name2-acetyloxyethyl hexanoate
PubChem CID21336001
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-acetyloxyethyl hexanoate
SMILESCCCCCC(=O)OCCOC(C)=O
InChIInChI=1S/C10H18O4/c1-3-4-5-6-10(12)14-8-7-13-9(2)11/h3-8H2,1-2H3
InChIKeyWCYNTBVCUYFRSV-UHFFFAOYSA-N
XLogP1.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.67
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

bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
2-henicosanoyloxyethyl henicosanoate
CID 54483902
2-acetyloxyethyl acetate;hexane
CID 137406148
butyl hexanoate;ethyl acetate
CID 160874959
ethanol;2-octadecanoyloxyethyl octadecanoate
CID 161101673
sodium;2-dodecanoyloxyethyl octadecanoate;hydride
CID 174887882
pentyl hexanoate
CID 10886
2-methoxyethyl octanoate
CID 14009347
2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
CID 102240305
2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate
CID 7787
2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate
CID 54361642
2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate
CID 102240292

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl hexanoate?
The IUPAC name of 2-acetyloxyethyl hexanoate (CID 21336001) is 2-acetyloxyethyl hexanoate.
What is the SMILES notation for 2-acetyloxyethyl hexanoate?
The canonical SMILES for 2-acetyloxyethyl hexanoate is CCCCCC(=O)OCCOC(C)=O.
What is the InChIKey of 2-acetyloxyethyl hexanoate?
The InChIKey is WCYNTBVCUYFRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-4-5-6-10(12)14-8-7-13-9(2)11/h3-8H2,1-2H3.
What are the key properties of 2-acetyloxyethyl hexanoate?
2-acetyloxyethyl hexanoate has a molecular weight of 202.25 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl hexanoate is sourced from PubChem (CID 21336001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).