ethyl 5-methyloxolane-3-carboxylate

C8H14O3 — CID 114826154

IUPACethyl 5-methyloxolane-3-carboxylate
SMILESCCOC(=O)C1COC(C)C1
InChIInChI=1S/C8H14O3/c1-3-10-8(9)7-4-6(2)11-5-7/h6-7H,3-5H2,1-2H3
InChIKeyDIXPROQILNGTGZ-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.97
Rot. Bonds2

About ethyl 5-methyloxolane-3-carboxylate

ethyl 5-methyloxolane-3-carboxylate (PubChem CID 114826154) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethyl 5-methyloxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyloxolane-3-carboxylate
PubChem CID114826154
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nameethyl 5-methyloxolane-3-carboxylate
SMILESCCOC(=O)C1COC(C)C1
InChIInChI=1S/C8H14O3/c1-3-10-8(9)7-4-6(2)11-5-7/h6-7H,3-5H2,1-2H3
InChIKeyDIXPROQILNGTGZ-UHFFFAOYSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 5-methyloxolane-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-methyloxane-4-carboxylate
CID 131105017
benzyl (3S,5S)-5-methyloxolane-3-carboxylate
CID 102519565
ethyl 2-[(5-methyloxolane-3-carbonyl)-propan-2-ylamino]acetate
CID 114826513
(3S,5S)-5-methyloxolane-3-carboxylic acid
CID 97300455
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
ethyl (4R)-4-methyloxetane-2-carboxylate
CID 178051520
1-(5-methyloxolan-3-yl)-2-propoxyethanone
CID 115783118
N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide
CID 114825656
diethyl 5-aminocyclohexane-1,3-dicarboxylate
CID 117273182
ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
CID 159150821
ethyl 3,4-difluorocyclopentane-1-carboxylate
CID 155893125
ethyl 3-fluorocyclobutane-1-carboxylate
CID 83853922

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyloxolane-3-carboxylate?
The IUPAC name of ethyl 5-methyloxolane-3-carboxylate (CID 114826154) is ethyl 5-methyloxolane-3-carboxylate.
What is the SMILES notation for ethyl 5-methyloxolane-3-carboxylate?
The canonical SMILES for ethyl 5-methyloxolane-3-carboxylate is CCOC(=O)C1COC(C)C1.
What is the InChIKey of ethyl 5-methyloxolane-3-carboxylate?
The InChIKey is DIXPROQILNGTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-10-8(9)7-4-6(2)11-5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of ethyl 5-methyloxolane-3-carboxylate?
ethyl 5-methyloxolane-3-carboxylate has a molecular weight of 158.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyloxolane-3-carboxylate is sourced from PubChem (CID 114826154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).