[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate

C10H18O4 — CID 118169205

IUPAC[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate
SMILESCCCC(=O)OC[C@H]1CC[C@H](CO)O1
InChIInChI=1S/C10H18O4/c1-2-3-10(12)13-7-9-5-4-8(6-11)14-9/h8-9,11H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyWIVKMQRSDCYZDR-RKDXNWHRSA-N
MW202.25 g/mol
LogP0.87
Rot. Bonds5

About [(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate

[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate (PubChem CID 118169205) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is [(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate.

Molecular Properties

Compound Name[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate
PubChem CID118169205
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate
SMILESCCCC(=O)OC[C@H]1CC[C@H](CO)O1
InChIInChI=1S/C10H18O4/c1-2-3-10(12)13-7-9-5-4-8(6-11)14-9/h8-9,11H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyWIVKMQRSDCYZDR-RKDXNWHRSA-N
XLogP0.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-butanoyloxyoxolan-2-yl)methyl butanoate
CID 144971535
[(2S,5S)-5-(iodomethyl)oxolan-2-yl]methyl pentanoate
CID 118183523
oxetan-2-ylmethyl butanoate
CID 150335397
[6-(hydroxymethyl)-1,4-dioxan-2-yl]methyl dodecanoate
CID 101106650
[(2R,5R)-5-(propoxymethyl)oxolan-2-yl]methanol
CID 122607745
[(2R)-4-oxooxetan-2-yl]methyl butanoate
CID 131862213
(5-tridecyloxolan-2-yl)methyl 5-chloropentanoate
CID 14326609
bis[butanoyloxy-[6-(butanoyloxymethyl)oxan-2-yl]methyl] (E)-but-2-enedioate
CID 175361713
[3-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate
CID 23256152
[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 12886254
bis(hexadecan-1-ol);[(2S,5R)-5-hydroxyoxolan-2-yl]methyl 3-(dimethylamino)propanoate
CID 167695446
[5-(methoxymethyl)oxolan-2-yl]methyl 3-oxobutanoate
CID 170416752

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate?
The IUPAC name of [(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate (CID 118169205) is [(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate.
What is the SMILES notation for [(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate?
The canonical SMILES for [(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate is CCCC(=O)OC[C@H]1CC[C@H](CO)O1.
What is the InChIKey of [(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate?
The InChIKey is WIVKMQRSDCYZDR-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18O4/c1-2-3-10(12)13-7-9-5-4-8(6-11)14-9/h8-9,11H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of [(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate?
[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate has a molecular weight of 202.25 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate is sourced from PubChem (CID 118169205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).