3-ethyl-1-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid

C15H26O3 — CID 65409462

IUPAC3-ethyl-1-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid
SMILESCCC1CCC(CCCC2CCCO2)(C(=O)O)C1
InChIInChI=1S/C15H26O3/c1-2-12-7-9-15(11-12,14(16)17)8-3-5-13-6-4-10-18-13/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyFHFKMOFGZTXGFF-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.62
Rot. Bonds6

About 3-ethyl-1-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid

3-ethyl-1-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid (PubChem CID 65409462) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-ethyl-1-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid
PubChem CID65409462
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name3-ethyl-1-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid
SMILESCCC1CCC(CCCC2CCCO2)(C(=O)O)C1
InChIInChI=1S/C15H26O3/c1-2-12-7-9-15(11-12,14(16)17)8-3-5-13-6-4-10-18-13/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyFHFKMOFGZTXGFF-UHFFFAOYSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid
CID 65395527
3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid
CID 65162206
4-tert-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 65161890
2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 65407586
3-ethyl-1-(2-methoxyethyl)cyclopentane-1-carboxylic acid
CID 65409459
4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65170355
1-[2-(oxolan-2-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65162258
[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol
CID 66026294
1-but-3-enyl-3-ethylcyclohexane-1-carboxylic acid
CID 79428476
3-ethyl-1-(3,3,3-trifluoropropyl)cyclohexane-1-carboxylic acid
CID 79428854
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
4-[3-(oxolan-2-yl)propyl]oxan-4-ol
CID 65162115

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-ethyl-1-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid (CID 65409462) is 3-ethyl-1-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid is CCC1CCC(CCCC2CCCO2)(C(=O)O)C1.
What is the InChIKey of 3-ethyl-1-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid?
The InChIKey is FHFKMOFGZTXGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-2-12-7-9-15(11-12,14(16)17)8-3-5-13-6-4-10-18-13/h12-13H,2-11H2,1H3,(H,16,17).
What are the key properties of 3-ethyl-1-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid?
3-ethyl-1-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid has a molecular weight of 254.37 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 65409462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).