1-(3-methoxypropoxy)cyclopentane-1-carboxylic acid

C10H18O4 — CID 114987778

IUPAC1-(3-methoxypropoxy)cyclopentane-1-carboxylic acid
SMILESCOCCCOC1(C(=O)O)CCCC1
InChIInChI=1S/C10H18O4/c1-13-7-4-8-14-10(9(11)12)5-2-3-6-10/h2-8H2,1H3,(H,11,12)
InChIKeyZHIWUVIXWTYHEZ-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.44
Rot. Bonds6

About 1-(3-methoxypropoxy)cyclopentane-1-carboxylic acid

1-(3-methoxypropoxy)cyclopentane-1-carboxylic acid (PubChem CID 114987778) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(3-methoxypropoxy)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxypropoxy)cyclopentane-1-carboxylic acid
PubChem CID114987778
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name1-(3-methoxypropoxy)cyclopentane-1-carboxylic acid
SMILESCOCCCOC1(C(=O)O)CCCC1
InChIInChI=1S/C10H18O4/c1-13-7-4-8-14-10(9(11)12)5-2-3-6-10/h2-8H2,1H3,(H,11,12)
InChIKeyZHIWUVIXWTYHEZ-UHFFFAOYSA-N
XLogP1.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.44
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-(3-methoxypropoxy)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-methoxypropoxy)cyclopentane-1-carboxylic acid (CID 114987778) is 1-(3-methoxypropoxy)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methoxypropoxy)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-methoxypropoxy)cyclopentane-1-carboxylic acid is COCCCOC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(3-methoxypropoxy)cyclopentane-1-carboxylic acid?
The InChIKey is ZHIWUVIXWTYHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-13-7-4-8-14-10(9(11)12)5-2-3-6-10/h2-8H2,1H3,(H,11,12).
What are the key properties of 1-(3-methoxypropoxy)cyclopentane-1-carboxylic acid?
1-(3-methoxypropoxy)cyclopentane-1-carboxylic acid has a molecular weight of 202.25 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropoxy)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114987778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).