1-propan-2-yloxyethyl 2-acetyloxypropanoate

C10H18O5 — CID 171574286

IUPAC1-propan-2-yloxyethyl 2-acetyloxypropanoate
SMILESCC(=O)OC(C)C(=O)OC(C)OC(C)C
InChIInChI=1S/C10H18O5/c1-6(2)13-9(5)15-10(12)7(3)14-8(4)11/h6-7,9H,1-5H3
InChIKeyKHPSFQBMIRHFCS-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.25
Rot. Bonds5

About 1-propan-2-yloxyethyl 2-acetyloxypropanoate

1-propan-2-yloxyethyl 2-acetyloxypropanoate (PubChem CID 171574286) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-propan-2-yloxyethyl 2-acetyloxypropanoate.

Molecular Properties

Compound Name1-propan-2-yloxyethyl 2-acetyloxypropanoate
PubChem CID171574286
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name1-propan-2-yloxyethyl 2-acetyloxypropanoate
SMILESCC(=O)OC(C)C(=O)OC(C)OC(C)C
InChIInChI=1S/C10H18O5/c1-6(2)13-9(5)15-10(12)7(3)14-8(4)11/h6-7,9H,1-5H3
InChIKeyKHPSFQBMIRHFCS-UHFFFAOYSA-N
XLogP1.25
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-acetyloxypropanoyl(trihydroxy)phosphanium
CID 57269878
ethyl 1-propan-2-yloxyethyl carbonate
CID 118149585
1-propan-2-yloxyethyl 2-acetamido-3-sulfanylpropanoate
CID 163263944
(2S)-2-acetyloxypropanoic acid
CID 6326324
propan-2-yl acetate;hydrochloride
CID 87336432
(2S)-2-acetyloxypropanoic acid;hydrochloride
CID 87235291
(2S)-2-acetyloxypropanoate
CID 40784882
[(2S)-1-bromo-1-oxopropan-2-yl] acetate
CID 18637837
acetic acid;2,2-di(propan-2-yloxy)acetic acid;titanium
CID 172768104
[2-[[2-(2-acetyloxypropanoyloxy)acetyl]oxymethoxy]-2-oxoethyl] 2-methoxypropanoate;methane
CID 158497271
(3-amino-2-methylbutan-2-yl) 2-acetyloxypropanoate;hydrochloride
CID 173374067
2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium
CID 2009

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxyethyl 2-acetyloxypropanoate?
The IUPAC name of 1-propan-2-yloxyethyl 2-acetyloxypropanoate (CID 171574286) is 1-propan-2-yloxyethyl 2-acetyloxypropanoate.
What is the SMILES notation for 1-propan-2-yloxyethyl 2-acetyloxypropanoate?
The canonical SMILES for 1-propan-2-yloxyethyl 2-acetyloxypropanoate is CC(=O)OC(C)C(=O)OC(C)OC(C)C.
What is the InChIKey of 1-propan-2-yloxyethyl 2-acetyloxypropanoate?
The InChIKey is KHPSFQBMIRHFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-6(2)13-9(5)15-10(12)7(3)14-8(4)11/h6-7,9H,1-5H3.
What are the key properties of 1-propan-2-yloxyethyl 2-acetyloxypropanoate?
1-propan-2-yloxyethyl 2-acetyloxypropanoate has a molecular weight of 218.25 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxyethyl 2-acetyloxypropanoate is sourced from PubChem (CID 171574286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).