4-(1,3-dioxolan-2-yl)-2-ethylcyclopentane-1-carboxylic acid

C11H18O4 — CID 58557815

IUPAC4-(1,3-dioxolan-2-yl)-2-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C2OCCO2)CC1C(=O)O
InChIInChI=1S/C11H18O4/c1-2-7-5-8(6-9(7)10(12)13)11-14-3-4-15-11/h7-9,11H,2-6H2,1H3,(H,12,13)
InChIKeyRZSWIZRYVSJTGM-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.50
Rot. Bonds3

About 4-(1,3-dioxolan-2-yl)-2-ethylcyclopentane-1-carboxylic acid

4-(1,3-dioxolan-2-yl)-2-ethylcyclopentane-1-carboxylic acid (PubChem CID 58557815) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-2-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-2-ethylcyclopentane-1-carboxylic acid
PubChem CID58557815
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name4-(1,3-dioxolan-2-yl)-2-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C2OCCO2)CC1C(=O)O
InChIInChI=1S/C11H18O4/c1-2-7-5-8(6-9(7)10(12)13)11-14-3-4-15-11/h7-9,11H,2-6H2,1H3,(H,12,13)
InChIKeyRZSWIZRYVSJTGM-UHFFFAOYSA-N
XLogP1.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)-2-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-2-ethylcyclopentane-1-carboxylic acid (CID 58557815) is 4-(1,3-dioxolan-2-yl)-2-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-2-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-2-ethylcyclopentane-1-carboxylic acid is CCC1CC(C2OCCO2)CC1C(=O)O.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-2-ethylcyclopentane-1-carboxylic acid?
The InChIKey is RZSWIZRYVSJTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-2-7-5-8(6-9(7)10(12)13)11-14-3-4-15-11/h7-9,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 4-(1,3-dioxolan-2-yl)-2-ethylcyclopentane-1-carboxylic acid?
4-(1,3-dioxolan-2-yl)-2-ethylcyclopentane-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-2-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 58557815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).