ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate

C11H20O4 — CID 115001681

IUPACethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate
SMILESCCOC(=O)C(C)COCC1CCOC1
InChIInChI=1S/C11H20O4/c1-3-15-11(12)9(2)6-14-8-10-4-5-13-7-10/h9-10H,3-8H2,1-2H3
InChIKeyQYPJLKZVLCZUGZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.24
Rot. Bonds6

About ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate

ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate (PubChem CID 115001681) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate
PubChem CID115001681
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nameethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate
SMILESCCOC(=O)C(C)COCC1CCOC1
InChIInChI=1S/C11H20O4/c1-3-15-11(12)9(2)6-14-8-10-4-5-13-7-10/h9-10H,3-8H2,1-2H3
InChIKeyQYPJLKZVLCZUGZ-UHFFFAOYSA-N
XLogP1.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid
CID 114995904
ethyl 2-(oxolan-3-ylmethoxy)pentanoate
CID 83038452
1-(oxolan-3-ylmethoxy)butan-2-ol
CID 62040870
oxolan-3-ylmethyl 6-amino-2-methylheptanoate
CID 65284885
oxolan-3-ylmethyl 5-amino-2-methylpentanoate
CID 104686029
ethyl 2-(oxolan-3-ylmethylamino)pentanoate
CID 79041046
4-(oxolan-3-ylmethoxy)-2-(propylamino)butanamide
CID 55144720
3-[2-(bromomethyl)butoxymethyl]oxolane
CID 64995288
2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid
CID 134207969
ethyl 3-[(3R)-oxolan-3-yl]propanoate
CID 86314190
2-methyl-3-[(3S)-oxolan-3-yl]propanamide
CID 162453240
ethyl 2-cyclopropyl-2-(ethylamino)-3-(oxolan-3-ylmethoxy)propanoate
CID 63919336

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate?
The IUPAC name of ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate (CID 115001681) is ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate.
What is the SMILES notation for ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate?
The canonical SMILES for ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate is CCOC(=O)C(C)COCC1CCOC1.
What is the InChIKey of ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate?
The InChIKey is QYPJLKZVLCZUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-15-11(12)9(2)6-14-8-10-4-5-13-7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate?
ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate has a molecular weight of 216.28 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate is sourced from PubChem (CID 115001681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).