1-(2-butoxyethoxy)cyclopentane-1-carboxylic acid

C12H22O4 — CID 114990948

IUPAC1-(2-butoxyethoxy)cyclopentane-1-carboxylic acid
SMILESCCCCOCCOC1(C(=O)O)CCCC1
InChIInChI=1S/C12H22O4/c1-2-3-8-15-9-10-16-12(11(13)14)6-4-5-7-12/h2-10H2,1H3,(H,13,14)
InChIKeyAJALNBJEIPHLSF-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.22
Rot. Bonds8

About 1-(2-butoxyethoxy)cyclopentane-1-carboxylic acid

1-(2-butoxyethoxy)cyclopentane-1-carboxylic acid (PubChem CID 114990948) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-butoxyethoxy)cyclopentane-1-carboxylic acid
PubChem CID114990948
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name1-(2-butoxyethoxy)cyclopentane-1-carboxylic acid
SMILESCCCCOCCOC1(C(=O)O)CCCC1
InChIInChI=1S/C12H22O4/c1-2-3-8-15-9-10-16-12(11(13)14)6-4-5-7-12/h2-10H2,1H3,(H,13,14)
InChIKeyAJALNBJEIPHLSF-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-butoxyethoxy)cyclopentane-1-carboxylic acid (CID 114990948) is 1-(2-butoxyethoxy)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-butoxyethoxy)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-butoxyethoxy)cyclopentane-1-carboxylic acid is CCCCOCCOC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(2-butoxyethoxy)cyclopentane-1-carboxylic acid?
The InChIKey is AJALNBJEIPHLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-2-3-8-15-9-10-16-12(11(13)14)6-4-5-7-12/h2-10H2,1H3,(H,13,14).
What are the key properties of 1-(2-butoxyethoxy)cyclopentane-1-carboxylic acid?
1-(2-butoxyethoxy)cyclopentane-1-carboxylic acid has a molecular weight of 230.30 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114990948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).