methyl 3-(oxolan-2-yl)propanoate

C8H14O3 — CID 15120448

IUPACmethyl 3-(oxolan-2-yl)propanoate
SMILESCOC(=O)CCC1CCCO1
InChIInChI=1S/C8H14O3/c1-10-8(9)5-4-7-3-2-6-11-7/h7H,2-6H2,1H3
InChIKeyGLKTYFYIRDOBNK-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.12
Rot. Bonds3

About methyl 3-(oxolan-2-yl)propanoate

methyl 3-(oxolan-2-yl)propanoate (PubChem CID 15120448) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl 3-(oxolan-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(oxolan-2-yl)propanoate
PubChem CID15120448
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namemethyl 3-(oxolan-2-yl)propanoate
SMILESCOC(=O)CCC1CCCO1
InChIInChI=1S/C8H14O3/c1-10-8(9)5-4-7-3-2-6-11-7/h7H,2-6H2,1H3
InChIKeyGLKTYFYIRDOBNK-UHFFFAOYSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(oxolan-2-yl)propanoate?
The IUPAC name of methyl 3-(oxolan-2-yl)propanoate (CID 15120448) is methyl 3-(oxolan-2-yl)propanoate.
What is the SMILES notation for methyl 3-(oxolan-2-yl)propanoate?
The canonical SMILES for methyl 3-(oxolan-2-yl)propanoate is COC(=O)CCC1CCCO1.
What is the InChIKey of methyl 3-(oxolan-2-yl)propanoate?
The InChIKey is GLKTYFYIRDOBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-10-8(9)5-4-7-3-2-6-11-7/h7H,2-6H2,1H3.
What are the key properties of methyl 3-(oxolan-2-yl)propanoate?
methyl 3-(oxolan-2-yl)propanoate has a molecular weight of 158.20 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(oxolan-2-yl)propanoate is sourced from PubChem (CID 15120448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).