methyl 5-acetyloxy-4-(2-hydroxypropoxy)pentanoate

C11H20O6 — CID 57263356

IUPACmethyl 5-acetyloxy-4-(2-hydroxypropoxy)pentanoate
SMILESCOC(=O)CCC(COC(C)=O)OCC(C)O
InChIInChI=1S/C11H20O6/c1-8(12)6-17-10(7-16-9(2)13)4-5-11(14)15-3/h8,10,12H,4-7H2,1-3H3
InChIKeyDOBBDQKRJXHZLE-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.27
Rot. Bonds8

About methyl 5-acetyloxy-4-(2-hydroxypropoxy)pentanoate

methyl 5-acetyloxy-4-(2-hydroxypropoxy)pentanoate (PubChem CID 57263356) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is methyl 5-acetyloxy-4-(2-hydroxypropoxy)pentanoate.

Molecular Properties

Compound Namemethyl 5-acetyloxy-4-(2-hydroxypropoxy)pentanoate
PubChem CID57263356
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Namemethyl 5-acetyloxy-4-(2-hydroxypropoxy)pentanoate
SMILESCOC(=O)CCC(COC(C)=O)OCC(C)O
InChIInChI=1S/C11H20O6/c1-8(12)6-17-10(7-16-9(2)13)4-5-11(14)15-3/h8,10,12H,4-7H2,1-3H3
InChIKeyDOBBDQKRJXHZLE-UHFFFAOYSA-N
XLogP0.27
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxypropyl acetate;mercury
CID 174858394
2-[2-(2-hydroxypropoxy)propoxy]propyl acetate
CID 87518170
2-hydroxypropyl acetate;methoxyperoxymethane
CID 87580480
6-[5,5-dihydroxy-2-(2-hydroxypropoxy)pentoxy]-6-oxohexanoic acid
CID 87104958
ethanol;2-hydroxypropyl acetate
CID 88717262
dimethyl 4-methylheptanedioate
CID 521222
dimethyl 4,9-dimethyldodecanedioate
CID 102494316
5-methoxy-2-methyl-5-oxopentanoic acid
CID 13192897
N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride
CID 173444949
3-[5-hydroxy-2-(2-hydroxypropoxy)hexoxy]carbonylbut-3-enoic acid
CID 154106907
methyl (4S)-4-amino-5-oxohexanoate
CID 91096561
1-aminopropan-2-ol;N,N-diethylethanamine;ethyl acetate;methyl carbonochloridate;methyl 4-hydroxypentanoate
CID 161100248

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyloxy-4-(2-hydroxypropoxy)pentanoate?
The IUPAC name of methyl 5-acetyloxy-4-(2-hydroxypropoxy)pentanoate (CID 57263356) is methyl 5-acetyloxy-4-(2-hydroxypropoxy)pentanoate.
What is the SMILES notation for methyl 5-acetyloxy-4-(2-hydroxypropoxy)pentanoate?
The canonical SMILES for methyl 5-acetyloxy-4-(2-hydroxypropoxy)pentanoate is COC(=O)CCC(COC(C)=O)OCC(C)O.
What is the InChIKey of methyl 5-acetyloxy-4-(2-hydroxypropoxy)pentanoate?
The InChIKey is DOBBDQKRJXHZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O6/c1-8(12)6-17-10(7-16-9(2)13)4-5-11(14)15-3/h8,10,12H,4-7H2,1-3H3.
What are the key properties of methyl 5-acetyloxy-4-(2-hydroxypropoxy)pentanoate?
methyl 5-acetyloxy-4-(2-hydroxypropoxy)pentanoate has a molecular weight of 248.27 g/mol, XLogP of 0.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyloxy-4-(2-hydroxypropoxy)pentanoate is sourced from PubChem (CID 57263356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).