(4-hydroxy-2-propanoyloxybutyl) propanoate

C10H18O5 — CID 54419057

IUPAC(4-hydroxy-2-propanoyloxybutyl) propanoate
SMILESCCC(=O)OCC(CCO)OC(=O)CC
InChIInChI=1S/C10H18O5/c1-3-9(12)14-7-8(5-6-11)15-10(13)4-2/h8,11H,3-7H2,1-2H3
InChIKeyVZMZGDYBWQBFCS-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.64
Rot. Bonds7

About (4-hydroxy-2-propanoyloxybutyl) propanoate

(4-hydroxy-2-propanoyloxybutyl) propanoate (PubChem CID 54419057) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is (4-hydroxy-2-propanoyloxybutyl) propanoate.

Molecular Properties

Compound Name(4-hydroxy-2-propanoyloxybutyl) propanoate
PubChem CID54419057
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(4-hydroxy-2-propanoyloxybutyl) propanoate
SMILESCCC(=O)OCC(CCO)OC(=O)CC
InChIInChI=1S/C10H18O5/c1-3-9(12)14-7-8(5-6-11)15-10(13)4-2/h8,11H,3-7H2,1-2H3
InChIKeyVZMZGDYBWQBFCS-UHFFFAOYSA-N
XLogP0.64
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-hexadecanoyloxy-4-hydroxybutyl) hexadecanoate
CID 134931177
2,3-di(propanoyloxy)propyl 2-methylpropanoate
CID 121433991
methyl 3,4-di(propanoyloxy)butanoate
CID 139957469
2-methylpropyl 3,4-di(propanoyloxy)butanoate
CID 139957342
2,3-di(propanoyloxy)propyl decanoate
CID 87100214
(E)-4-[(3R)-3,4-di(propanoyloxy)butoxy]-4-oxobut-2-enoic acid
CID 162351983
1,3-diacetyloxypropan-2-yl propanoate
CID 90139803
1,3-di(propanoyloxy)propan-2-yl tetradecanoate
CID 87248949
1,3-di(propanoyloxy)propan-2-yl decanoate
CID 87100213
1-acetyloxybutan-2-yl propanoate;2-acetyloxybutyl propanoate
CID 158582642
(1-hydroxy-3-propanoyloxypropan-2-yl) tricosanoate
CID 138233265
(1-hydroxy-3-propanoyloxypropan-2-yl) heptanoate
CID 138240695

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-propanoyloxybutyl) propanoate?
The IUPAC name of (4-hydroxy-2-propanoyloxybutyl) propanoate (CID 54419057) is (4-hydroxy-2-propanoyloxybutyl) propanoate.
What is the SMILES notation for (4-hydroxy-2-propanoyloxybutyl) propanoate?
The canonical SMILES for (4-hydroxy-2-propanoyloxybutyl) propanoate is CCC(=O)OCC(CCO)OC(=O)CC.
What is the InChIKey of (4-hydroxy-2-propanoyloxybutyl) propanoate?
The InChIKey is VZMZGDYBWQBFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-3-9(12)14-7-8(5-6-11)15-10(13)4-2/h8,11H,3-7H2,1-2H3.
What are the key properties of (4-hydroxy-2-propanoyloxybutyl) propanoate?
(4-hydroxy-2-propanoyloxybutyl) propanoate has a molecular weight of 218.25 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-propanoyloxybutyl) propanoate is sourced from PubChem (CID 54419057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).