2-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid

C12H22O4 — CID 103415800

IUPAC2-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
SMILESCOCCOCCCC1CCCC1C(=O)O
InChIInChI=1S/C12H22O4/c1-15-8-9-16-7-3-5-10-4-2-6-11(10)12(13)14/h10-11H,2-9H2,1H3,(H,13,14)
InChIKeyLWEGWSJZXKJCJC-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.93
Rot. Bonds8

About 2-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid

2-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid (PubChem CID 103415800) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
PubChem CID103415800
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
SMILESCOCCOCCCC1CCCC1C(=O)O
InChIInChI=1S/C12H22O4/c1-15-8-9-16-7-3-5-10-4-2-6-11(10)12(13)14/h10-11H,2-9H2,1H3,(H,13,14)
InChIKeyLWEGWSJZXKJCJC-UHFFFAOYSA-N
XLogP1.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethoxypropyl)cyclobutane-1-carboxylic acid
CID 81009121
2-[3-(2-methoxyethoxy)propyl]cyclohexan-1-amine
CID 103410699
(2S)-2-(3-boronopropyl)cyclopentane-1-carboxylic acid
CID 69054314
2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane-1-carboxylic acid
CID 81008690
3-[3-(2-methoxyethoxy)propyl]-2-methylcyclopentan-1-ol
CID 103413817
trans-(1R,2R)-2-(5-propanoyloxypentyl)cyclohexane-1-carboxylic acid
CID 177308451
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopentan-1-ol
CID 104564618
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
1-[2-[3-(2-methoxyethoxy)propyl]cyclohexyl]-N-methylmethanamine
CID 103415921
2-[3-(2-methoxyethoxy)propyl]cyclobutan-1-amine
CID 103415817
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentan-1-amine
CID 104560818
2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid
CID 81008976

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid (CID 103415800) is 2-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid is COCCOCCCC1CCCC1C(=O)O.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid?
The InChIKey is LWEGWSJZXKJCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-15-8-9-16-7-3-5-10-4-2-6-11(10)12(13)14/h10-11H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid?
2-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid has a molecular weight of 230.30 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103415800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).