2-prop-1-en-2-yloxyethyl 2-ethylpentanoate

C12H22O3 — CID 155607626

IUPAC2-prop-1-en-2-yloxyethyl 2-ethylpentanoate
SMILESC=C(C)OCCOC(=O)C(CC)CCC
InChIInChI=1S/C12H22O3/c1-5-7-11(6-2)12(13)15-9-8-14-10(3)4/h11H,3,5-9H2,1-2,4H3
InChIKeyXWFRAODSXOUZLI-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.91
Rot. Bonds8

About 2-prop-1-en-2-yloxyethyl 2-ethylpentanoate

2-prop-1-en-2-yloxyethyl 2-ethylpentanoate (PubChem CID 155607626) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-prop-1-en-2-yloxyethyl 2-ethylpentanoate.

Molecular Properties

Compound Name2-prop-1-en-2-yloxyethyl 2-ethylpentanoate
PubChem CID155607626
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-prop-1-en-2-yloxyethyl 2-ethylpentanoate
SMILESC=C(C)OCCOC(=O)C(CC)CCC
InChIInChI=1S/C12H22O3/c1-5-7-11(6-2)12(13)15-9-8-14-10(3)4/h11H,3,5-9H2,1-2,4H3
InChIKeyXWFRAODSXOUZLI-UHFFFAOYSA-N
XLogP2.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
CID 139595108
2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate
CID 92855750
2-ethylpentaneperoxoic acid
CID 178072085
3-[(2S)-2-ethylhexanoyl]oxypropyl (2R)-2-ethylhexanoate
CID 125473302
prop-1-en-2-yl 2-ethylhexanoate
CID 131851777
butyl 2-ethylhexanoate;λ2-stannane
CID 174507842
ethene;ethyl 2-propylpentanoate
CID 160741230
cyclobutane;2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate
CID 67882707
2-hydroxyethyl 2-ethylhexanoate
CID 10397600
hexadecyl 2-ethyldecanoate
CID 22665192
decyl 2-ethyldecanoate
CID 22665194
2-(2-hydroxyethoxy)ethyl 2-ethylhexanoate
CID 19879658

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yloxyethyl 2-ethylpentanoate?
The IUPAC name of 2-prop-1-en-2-yloxyethyl 2-ethylpentanoate (CID 155607626) is 2-prop-1-en-2-yloxyethyl 2-ethylpentanoate.
What is the SMILES notation for 2-prop-1-en-2-yloxyethyl 2-ethylpentanoate?
The canonical SMILES for 2-prop-1-en-2-yloxyethyl 2-ethylpentanoate is C=C(C)OCCOC(=O)C(CC)CCC.
What is the InChIKey of 2-prop-1-en-2-yloxyethyl 2-ethylpentanoate?
The InChIKey is XWFRAODSXOUZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-5-7-11(6-2)12(13)15-9-8-14-10(3)4/h11H,3,5-9H2,1-2,4H3.
What are the key properties of 2-prop-1-en-2-yloxyethyl 2-ethylpentanoate?
2-prop-1-en-2-yloxyethyl 2-ethylpentanoate has a molecular weight of 214.30 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yloxyethyl 2-ethylpentanoate is sourced from PubChem (CID 155607626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).