oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate

C10H16O5 — CID 174653429

IUPACoxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate
SMILESO=C(CO)CCC(=O)OCC1CCCO1
InChIInChI=1S/C10H16O5/c11-6-8(12)3-4-10(13)15-7-9-2-1-5-14-9/h9,11H,1-7H2
InChIKeyDVJCBHRZKDMFLG-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.05
Rot. Bonds6

About oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate

oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate (PubChem CID 174653429) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate
PubChem CID174653429
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Nameoxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate
SMILESO=C(CO)CCC(=O)OCC1CCCO1
InChIInChI=1S/C10H16O5/c11-6-8(12)3-4-10(13)15-7-9-2-1-5-14-9/h9,11H,1-7H2
InChIKeyDVJCBHRZKDMFLG-UHFFFAOYSA-N
XLogP0.05
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
oxan-2-ylmethyl 3-aminopropanoate
CID 61279646
oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
1-O-hexyl 5-O-(oxolan-2-ylmethyl) pentanedioate
CID 91695857
1-O-heptyl 5-O-(oxolan-2-ylmethyl) pentanedioate
CID 91695874
oxetan-2-ylmethyl butanoate
CID 150335397
2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
CID 154107225
oxan-2-ylmethyl 2-cyclopentylacetate
CID 78788812
6-(oxolan-2-ylmethoxy)hexan-3-one
CID 106801896
molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate
CID 158631778

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate?
The IUPAC name of oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate (CID 174653429) is oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate.
What is the SMILES notation for oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate?
The canonical SMILES for oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate is O=C(CO)CCC(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate?
The InChIKey is DVJCBHRZKDMFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c11-6-8(12)3-4-10(13)15-7-9-2-1-5-14-9/h9,11H,1-7H2.
What are the key properties of oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate?
oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate has a molecular weight of 216.23 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate is sourced from PubChem (CID 174653429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).