3-(methoxymethoxy)cyclopentane-1-carboxylic acid

C8H14O4 — CID 19804660

IUPAC3-(methoxymethoxy)cyclopentane-1-carboxylic acid
SMILESCOCOC1CCC(C(=O)O)C1
InChIInChI=1S/C8H14O4/c1-11-5-12-7-3-2-6(4-7)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyNPJJCARFJRTDNV-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.86
Rot. Bonds4

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

3-(methoxymethoxy)cyclopentane-1-carboxylic acid (PubChem CID 19804660) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(methoxymethoxy)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(methoxymethoxy)cyclopentane-1-carboxylic acid
PubChem CID19804660
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name3-(methoxymethoxy)cyclopentane-1-carboxylic acid
SMILESCOCOC1CCC(C(=O)O)C1
InChIInChI=1S/C8H14O4/c1-11-5-12-7-3-2-6(4-7)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyNPJJCARFJRTDNV-UHFFFAOYSA-N
XLogP0.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(methoxymethoxy)cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(methoxymethoxy)cyclopentyl]-2-phenylethanone
CID 23033550
cis-methyl (1R,3S)-3-(methoxymethoxy)cyclohexane-1-carboxylate
CID 69240437
3-(methoxymethoxy)cyclopentan-1-ol
CID 91618356
1-[3-(methoxymethoxy)cyclopentyl]-2-phenylbutane-1,3-dione
CID 23033582
2-[3-(methoxymethoxy)cyclodecyl]acetic acid
CID 134457636
4-(4-methoxybutoxy)cyclohexane-1-carboxylic acid
CID 114451014
cis-(1R,3S)-3-(methoxymethoxy)cyclopentan-1-amine
CID 163636034
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid
CID 853156
cis-(1S,3R)-3-methoxycarbonylcyclopentane-1-carboxylic acid
CID 10888375
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
3,4-bis(methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 66983998

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(methoxymethoxy)cyclopentane-1-carboxylic acid (CID 19804660) is 3-(methoxymethoxy)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(methoxymethoxy)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(methoxymethoxy)cyclopentane-1-carboxylic acid is COCOC1CCC(C(=O)O)C1.
What is the InChIKey of 3-(methoxymethoxy)cyclopentane-1-carboxylic acid?
The InChIKey is NPJJCARFJRTDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-11-5-12-7-3-2-6(4-7)8(9)10/h6-7H,2-5H2,1H3,(H,9,10).
What are the key properties of 3-(methoxymethoxy)cyclopentane-1-carboxylic acid?
3-(methoxymethoxy)cyclopentane-1-carboxylic acid has a molecular weight of 174.20 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 19804660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).