methyl (2R)-2-(oxolan-3-yloxy)propanoate

C8H14O4 — CID 103338002

IUPACmethyl (2R)-2-(oxolan-3-yloxy)propanoate
SMILESCOC(=O)[C@@H](C)OC1CCOC1
InChIInChI=1S/C8H14O4/c1-6(8(9)10-2)12-7-3-4-11-5-7/h6-7H,3-5H2,1-2H3/t6-,7?/m1/s1
InChIKeyUKBDLFPQVSYNFF-ULUSZKPHSA-N
MW174.20 g/mol
LogP0.35
Rot. Bonds3

About methyl (2R)-2-(oxolan-3-yloxy)propanoate

methyl (2R)-2-(oxolan-3-yloxy)propanoate (PubChem CID 103338002) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl (2R)-2-(oxolan-3-yloxy)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(oxolan-3-yloxy)propanoate
PubChem CID103338002
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Namemethyl (2R)-2-(oxolan-3-yloxy)propanoate
SMILESCOC(=O)[C@@H](C)OC1CCOC1
InChIInChI=1S/C8H14O4/c1-6(8(9)10-2)12-7-3-4-11-5-7/h6-7H,3-5H2,1-2H3/t6-,7?/m1/s1
InChIKeyUKBDLFPQVSYNFF-ULUSZKPHSA-N
XLogP0.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-cyclobutyloxypropanoate
CID 103337973
[(3S)-oxolan-3-yl] (2S)-2-bromopropanoate
CID 11470107
N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide
CID 63557624
methyl (2S)-2-chloro-2-[(3S)-oxolan-3-yl]acetate
CID 94376600
[(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate
CID 175404027
ethyl 2-(oxolan-3-yloxy)pentanoate
CID 83038172
4-[1-(oxolan-3-yloxy)ethyl]benzamide
CID 154052713
5-[1-(oxolan-3-yloxy)ethyl]furan-2-carboxylic acid
CID 79083632
methyl 2-[1-(oxolan-3-yl)ethylamino]propanoate
CID 115660027
oxolan-3-yl 2-amino-4-methylpentanoate
CID 63559458
2-(oxan-4-yloxy)pentan-3-one
CID 64867602
1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one;3-propan-2-yloxyoxolane
CID 158273565

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(oxolan-3-yloxy)propanoate?
The IUPAC name of methyl (2R)-2-(oxolan-3-yloxy)propanoate (CID 103338002) is methyl (2R)-2-(oxolan-3-yloxy)propanoate.
What is the SMILES notation for methyl (2R)-2-(oxolan-3-yloxy)propanoate?
The canonical SMILES for methyl (2R)-2-(oxolan-3-yloxy)propanoate is COC(=O)[C@@H](C)OC1CCOC1.
What is the InChIKey of methyl (2R)-2-(oxolan-3-yloxy)propanoate?
The InChIKey is UKBDLFPQVSYNFF-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H14O4/c1-6(8(9)10-2)12-7-3-4-11-5-7/h6-7H,3-5H2,1-2H3/t6-,7?/m1/s1.
What are the key properties of methyl (2R)-2-(oxolan-3-yloxy)propanoate?
methyl (2R)-2-(oxolan-3-yloxy)propanoate has a molecular weight of 174.20 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(oxolan-3-yloxy)propanoate is sourced from PubChem (CID 103338002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).