methyl 2-(3-hydroxyoxolan-3-yl)acetate

C7H12O4 — CID 115012540

IUPACmethyl 2-(3-hydroxyoxolan-3-yl)acetate
SMILESCOC(=O)CC1(O)CCOC1
InChIInChI=1S/C7H12O4/c1-10-6(8)4-7(9)2-3-11-5-7/h9H,2-5H2,1H3
InChIKeyJUGUSPKQOOESPW-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.30
Rot. Bonds2

About methyl 2-(3-hydroxyoxolan-3-yl)acetate

methyl 2-(3-hydroxyoxolan-3-yl)acetate (PubChem CID 115012540) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is methyl 2-(3-hydroxyoxolan-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxyoxolan-3-yl)acetate
PubChem CID115012540
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Namemethyl 2-(3-hydroxyoxolan-3-yl)acetate
SMILESCOC(=O)CC1(O)CCOC1
InChIInChI=1S/C7H12O4/c1-10-6(8)4-7(9)2-3-11-5-7/h9H,2-5H2,1H3
InChIKeyJUGUSPKQOOESPW-UHFFFAOYSA-N
XLogP-0.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1-hydroxycyclobutyl)acetate
CID 59069629
methyl 4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]butanoate
CID 103848177
methyl 2-(3-aminooxan-3-yl)acetate
CID 75356322
methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
CID 106100069
methyl 3-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylbutanoate
CID 106100572
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101303
ethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
CID 106100665
methyl 2-[3-(2-aminopropan-2-yl)oxan-3-yl]acetate
CID 66098608
tert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate
CID 105489495
3-[2-(methylamino)ethyl]oxolan-3-ol
CID 83904982
methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate
CID 103923800
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide
CID 103848673

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxyoxolan-3-yl)acetate?
The IUPAC name of methyl 2-(3-hydroxyoxolan-3-yl)acetate (CID 115012540) is methyl 2-(3-hydroxyoxolan-3-yl)acetate.
What is the SMILES notation for methyl 2-(3-hydroxyoxolan-3-yl)acetate?
The canonical SMILES for methyl 2-(3-hydroxyoxolan-3-yl)acetate is COC(=O)CC1(O)CCOC1.
What is the InChIKey of methyl 2-(3-hydroxyoxolan-3-yl)acetate?
The InChIKey is JUGUSPKQOOESPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-10-6(8)4-7(9)2-3-11-5-7/h9H,2-5H2,1H3.
What are the key properties of methyl 2-(3-hydroxyoxolan-3-yl)acetate?
methyl 2-(3-hydroxyoxolan-3-yl)acetate has a molecular weight of 160.17 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydroxyoxolan-3-yl)acetate is sourced from PubChem (CID 115012540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).