4-acetyloxyoctan-2-yl 2-(oxiran-2-yl)acetate

C14H24O5 — CID 163433523

IUPAC4-acetyloxyoctan-2-yl 2-(oxiran-2-yl)acetate
SMILESCCCCC(CC(C)OC(=O)CC1CO1)OC(C)=O
InChIInChI=1S/C14H24O5/c1-4-5-6-12(19-11(3)15)7-10(2)18-14(16)8-13-9-17-13/h10,12-13H,4-9H2,1-3H3
InChIKeyPSUGOAWARZLWNP-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.22
Rot. Bonds9

About 4-acetyloxyoctan-2-yl 2-(oxiran-2-yl)acetate

4-acetyloxyoctan-2-yl 2-(oxiran-2-yl)acetate (PubChem CID 163433523) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-acetyloxyoctan-2-yl 2-(oxiran-2-yl)acetate.

Molecular Properties

Compound Name4-acetyloxyoctan-2-yl 2-(oxiran-2-yl)acetate
PubChem CID163433523
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name4-acetyloxyoctan-2-yl 2-(oxiran-2-yl)acetate
SMILESCCCCC(CC(C)OC(=O)CC1CO1)OC(C)=O
InChIInChI=1S/C14H24O5/c1-4-5-6-12(19-11(3)15)7-10(2)18-14(16)8-13-9-17-13/h10,12-13H,4-9H2,1-3H3
InChIKeyPSUGOAWARZLWNP-UHFFFAOYSA-N
XLogP2.22
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 21337080
1-iodohexan-2-yl acetate
CID 11184782
hexan-2-yl acetate;methane
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1-morpholin-4-ylhexan-2-yl acetate
CID 22706849
[(5R)-1-chlorononan-5-yl] acetate
CID 129368430
1-(1,3-dioxolan-2-yl)pentyl acetate
CID 10058668
[(3S)-nonan-3-yl] acetate
CID 76967958
1-hexan-2-yloxyethyl acetate
CID 87208887
bis(2-methyloctan-4-yl) hexanedioate
CID 88664720
2-acetyloxyhexyl(chloro)mercury
CID 71329311
(3R,5R)-3-acetyloxy-5-[(3R,5R)-3-acetyloxy-5-[(3R,5R)-3-acetyloxy-5-[(3R,5R)-3,5-diacetyloxydecanoyl]oxydecanoyl]oxydecanoyl]oxydecanoic acid
CID 10629760
(3R,5R)-3,5-diacetyloxyhexacosanoic acid
CID 102203179

Frequently Asked Questions

What is the IUPAC name of 4-acetyloxyoctan-2-yl 2-(oxiran-2-yl)acetate?
The IUPAC name of 4-acetyloxyoctan-2-yl 2-(oxiran-2-yl)acetate (CID 163433523) is 4-acetyloxyoctan-2-yl 2-(oxiran-2-yl)acetate.
What is the SMILES notation for 4-acetyloxyoctan-2-yl 2-(oxiran-2-yl)acetate?
The canonical SMILES for 4-acetyloxyoctan-2-yl 2-(oxiran-2-yl)acetate is CCCCC(CC(C)OC(=O)CC1CO1)OC(C)=O.
What is the InChIKey of 4-acetyloxyoctan-2-yl 2-(oxiran-2-yl)acetate?
The InChIKey is PSUGOAWARZLWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-4-5-6-12(19-11(3)15)7-10(2)18-14(16)8-13-9-17-13/h10,12-13H,4-9H2,1-3H3.
What are the key properties of 4-acetyloxyoctan-2-yl 2-(oxiran-2-yl)acetate?
4-acetyloxyoctan-2-yl 2-(oxiran-2-yl)acetate has a molecular weight of 272.34 g/mol, XLogP of 2.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyloxyoctan-2-yl 2-(oxiran-2-yl)acetate is sourced from PubChem (CID 163433523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).