2-(3-ethoxypropyl)cyclobutane-1-carboxylic acid

C10H18O3 — CID 81009121

IUPAC2-(3-ethoxypropyl)cyclobutane-1-carboxylic acid
SMILESCCOCCCC1CCC1C(=O)O
InChIInChI=1S/C10H18O3/c1-2-13-7-3-4-8-5-6-9(8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyOSSALXKUSCYORH-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.91
Rot. Bonds6

About 2-(3-ethoxypropyl)cyclobutane-1-carboxylic acid

2-(3-ethoxypropyl)cyclobutane-1-carboxylic acid (PubChem CID 81009121) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethoxypropyl)cyclobutane-1-carboxylic acid
PubChem CID81009121
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(3-ethoxypropyl)cyclobutane-1-carboxylic acid
SMILESCCOCCCC1CCC1C(=O)O
InChIInChI=1S/C10H18O3/c1-2-13-7-3-4-8-5-6-9(8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyOSSALXKUSCYORH-UHFFFAOYSA-N
XLogP1.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane-1-carboxylic acid
CID 81008690
2-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
CID 103415800
2-(3-ethoxypropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114390371
2-(3,3-dimethylbutyl)cyclobutane-1-carboxylic acid
CID 81009340
trans-(1R,2R)-2-(5-propanoyloxypentyl)cyclohexane-1-carboxylic acid
CID 177308451
1-chloro-2-(3-ethoxypropyl)-4-methylcyclohexane
CID 65180902
4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1-carboxylic acid
CID 81013437
cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120675923
1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid
CID 106744774
4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246291
3-(3-ethoxypropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55146734
2-but-3-ynylcyclobutane-1-carboxylic acid
CID 81009237

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(3-ethoxypropyl)cyclobutane-1-carboxylic acid (CID 81009121) is 2-(3-ethoxypropyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(3-ethoxypropyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(3-ethoxypropyl)cyclobutane-1-carboxylic acid is CCOCCCC1CCC1C(=O)O.
What is the InChIKey of 2-(3-ethoxypropyl)cyclobutane-1-carboxylic acid?
The InChIKey is OSSALXKUSCYORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-13-7-3-4-8-5-6-9(8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-(3-ethoxypropyl)cyclobutane-1-carboxylic acid?
2-(3-ethoxypropyl)cyclobutane-1-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81009121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).