5-ethyl-4-methyloxolane-2-carboxylic acid

C8H14O3 — CID 130663855

IUPAC5-ethyl-4-methyloxolane-2-carboxylic acid
SMILESCCC1OC(C(=O)O)CC1C
InChIInChI=1S/C8H14O3/c1-3-6-5(2)4-7(11-6)8(9)10/h5-7H,3-4H2,1-2H3,(H,9,10)
InChIKeyFKNFFDUXXZXMTB-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.27
Rot. Bonds2

About 5-ethyl-4-methyloxolane-2-carboxylic acid

5-ethyl-4-methyloxolane-2-carboxylic acid (PubChem CID 130663855) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-ethyl-4-methyloxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-methyloxolane-2-carboxylic acid
PubChem CID130663855
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name5-ethyl-4-methyloxolane-2-carboxylic acid
SMILESCCC1OC(C(=O)O)CC1C
InChIInChI=1S/C8H14O3/c1-3-6-5(2)4-7(11-6)8(9)10/h5-7H,3-4H2,1-2H3,(H,9,10)
InChIKeyFKNFFDUXXZXMTB-UHFFFAOYSA-N
XLogP1.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S,5S)-4,5-dimethyloxolane-2-carboxylic acid
CID 167212473
(4S,5S)-5-ethyl-4-methyloxolan-2-ol
CID 59992917
(5-ethyl-4-methyloxolan-2-yl)methanol
CID 90933878
4-chloro-6-ethyloxane-2-carboxylic acid
CID 72760592
(2R)-5-chloro-2-ethyl-3-methyloxolane
CID 59969008
(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid
CID 101368145
(2R,3S)-2-ethyloxolane-3-carboxylic acid
CID 97048146
(2S,3R)-2-ethyloxolane-3-carboxylic acid
CID 97048145
(2R,5S)-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945282
CID 159220966
CID 159220966
2-[(2R,5S,6R)-6-ethyl-5-methyloxan-2-yl]acetamide
CID 166963780
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
CID 6995705

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyloxolane-2-carboxylic acid?
The IUPAC name of 5-ethyl-4-methyloxolane-2-carboxylic acid (CID 130663855) is 5-ethyl-4-methyloxolane-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-methyloxolane-2-carboxylic acid?
The canonical SMILES for 5-ethyl-4-methyloxolane-2-carboxylic acid is CCC1OC(C(=O)O)CC1C.
What is the InChIKey of 5-ethyl-4-methyloxolane-2-carboxylic acid?
The InChIKey is FKNFFDUXXZXMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-6-5(2)4-7(11-6)8(9)10/h5-7H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 5-ethyl-4-methyloxolane-2-carboxylic acid?
5-ethyl-4-methyloxolane-2-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyloxolane-2-carboxylic acid is sourced from PubChem (CID 130663855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).