1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid

C12H22O4 — CID 103181465

IUPAC1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid
SMILESCOCCCOCCC1(C(=O)O)CCCC1
InChIInChI=1S/C12H22O4/c1-15-8-4-9-16-10-7-12(11(13)14)5-2-3-6-12/h2-10H2,1H3,(H,13,14)
InChIKeyWYMDQYLLLSSMRP-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.07
Rot. Bonds8

About 1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid

1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 103181465) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid
PubChem CID103181465
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid
SMILESCOCCCOCCC1(C(=O)O)CCCC1
InChIInChI=1S/C12H22O4/c1-15-8-4-9-16-10-7-12(11(13)14)5-2-3-6-12/h2-10H2,1H3,(H,13,14)
InChIKeyWYMDQYLLLSSMRP-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
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

1-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
CID 103410978
1-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexane-1-carboxylic acid
CID 103184870
4-ethyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexane-1-carboxylic acid
CID 103184874
1-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxylic acid
CID 103410994
1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone
CID 106797314
1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
CID 66023970
1-[2-(3-methylbutoxy)ethyl]cyclopentane-1-carboxylic acid
CID 62739552
1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid
CID 155771087
1-[2-[2-(dimethylamino)ethoxy]ethyl]cyclobutane-1-carboxylic acid
CID 123411679
1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid
CID 62738365
1-(4-chlorobutyl)cyclopentane-1-carboxylic acid;1-(4-methoxybutyl)cyclopentane-1-carboxylic acid;methyl 1-(4-chlorobutyl)cyclopentane-1-carboxylate
CID 162075070
2-(3-methoxypropoxy)ethyl 1-(aminomethyl)cycloheptane-1-carboxylate
CID 103178541

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid (CID 103181465) is 1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid is COCCCOCCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is WYMDQYLLLSSMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-15-8-4-9-16-10-7-12(11(13)14)5-2-3-6-12/h2-10H2,1H3,(H,13,14).
What are the key properties of 1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid?
1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 230.30 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103181465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).