propyl 2-acetyloxybutanoate

C9H16O4 — CID 141161519

IUPACpropyl 2-acetyloxybutanoate
SMILESCCCOC(=O)C(CC)OC(C)=O
InChIInChI=1S/C9H16O4/c1-4-6-12-9(11)8(5-2)13-7(3)10/h8H,4-6H2,1-3H3
InChIKeyHQZXTUOEGPDQMY-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.28
Rot. Bonds5

About propyl 2-acetyloxybutanoate

propyl 2-acetyloxybutanoate (PubChem CID 141161519) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is propyl 2-acetyloxybutanoate.

Molecular Properties

Compound Namepropyl 2-acetyloxybutanoate
PubChem CID141161519
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Namepropyl 2-acetyloxybutanoate
SMILESCCCOC(=O)C(CC)OC(C)=O
InChIInChI=1S/C9H16O4/c1-4-6-12-9(11)8(5-2)13-7(3)10/h8H,4-6H2,1-3H3
InChIKeyHQZXTUOEGPDQMY-UHFFFAOYSA-N
XLogP1.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 2-acetyloxypentanoate
CID 141161504
2-acetyloxybutanoic acid
CID 13327294
ethyl 2-acetyloxy-3-hydroxypropanoate
CID 88644525
butyl 2-acetyloxyoctadecanoate
CID 87275943
hexadecyl 2-acetyloxyhexadecanoate
CID 12071370
[(3S)-2-methylpent-1-en-3-yl] acetate
CID 129390449
propyl acetate;hydrate
CID 122690555
propyl (2R)-2-methylbutanoate
CID 86306230
(2-methylpropan-2-yl)oxycarbonyl 2-acetyloxybutanoate
CID 126720891
1,1,2-trichloropent-1-en-3-yl acetate
CID 88729244
propyl 2,3-diethyl-4-oxopentanoate
CID 142730005
azane;(2-methylpropan-2-yl)oxycarbonyl 2-acetyloxybutanoate
CID 126720947

Frequently Asked Questions

What is the IUPAC name of propyl 2-acetyloxybutanoate?
The IUPAC name of propyl 2-acetyloxybutanoate (CID 141161519) is propyl 2-acetyloxybutanoate.
What is the SMILES notation for propyl 2-acetyloxybutanoate?
The canonical SMILES for propyl 2-acetyloxybutanoate is CCCOC(=O)C(CC)OC(C)=O.
What is the InChIKey of propyl 2-acetyloxybutanoate?
The InChIKey is HQZXTUOEGPDQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-4-6-12-9(11)8(5-2)13-7(3)10/h8H,4-6H2,1-3H3.
What are the key properties of propyl 2-acetyloxybutanoate?
propyl 2-acetyloxybutanoate has a molecular weight of 188.22 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-acetyloxybutanoate is sourced from PubChem (CID 141161519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).