methyl 2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoate

C12H22O4 — CID 14167519

IUPACmethyl 2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoate
SMILESCCC(O)CC1CCC(C(C)C(=O)OC)O1
InChIInChI=1S/C12H22O4/c1-4-9(13)7-10-5-6-11(16-10)8(2)12(14)15-3/h8-11,13H,4-7H2,1-3H3
InChIKeyJXOFMPWKHDLUOA-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.50
Rot. Bonds5

About methyl 2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoate

methyl 2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoate (PubChem CID 14167519) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is methyl 2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoate
PubChem CID14167519
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Namemethyl 2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoate
SMILESCCC(O)CC1CCC(C(C)C(=O)OC)O1
InChIInChI=1S/C12H22O4/c1-4-9(13)7-10-5-6-11(16-10)8(2)12(14)15-3/h8-11,13H,4-7H2,1-3H3
InChIKeyJXOFMPWKHDLUOA-UHFFFAOYSA-N
XLogP1.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoate?
The IUPAC name of methyl 2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoate (CID 14167519) is methyl 2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoate.
What is the SMILES notation for methyl 2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoate?
The canonical SMILES for methyl 2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoate is CCC(O)CC1CCC(C(C)C(=O)OC)O1.
What is the InChIKey of methyl 2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoate?
The InChIKey is JXOFMPWKHDLUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-4-9(13)7-10-5-6-11(16-10)8(2)12(14)15-3/h8-11,13H,4-7H2,1-3H3.
What are the key properties of methyl 2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoate?
methyl 2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoate has a molecular weight of 230.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoate is sourced from PubChem (CID 14167519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).