(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid

C10H16O4 — CID 16724578

IUPAC(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid
SMILESC=C[C@@H]1C[C@H](OCOC)C[C@H]1C(=O)O
InChIInChI=1S/C10H16O4/c1-3-7-4-8(14-6-13-2)5-9(7)10(11)12/h3,7-9H,1,4-6H2,2H3,(H,11,12)/t7-,8+,9-/m1/s1
InChIKeyXIXQHNLKPGJGMB-HRDYMLBCSA-N
MW200.23 g/mol
LogP1.27
Rot. Bonds5

About (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid

(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid (PubChem CID 16724578) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid
PubChem CID16724578
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid
SMILESC=C[C@@H]1C[C@H](OCOC)C[C@H]1C(=O)O
InChIInChI=1S/C10H16O4/c1-3-7-4-8(14-6-13-2)5-9(7)10(11)12/h3,7-9H,1,4-6H2,2H3,(H,11,12)/t7-,8+,9-/m1/s1
InChIKeyXIXQHNLKPGJGMB-HRDYMLBCSA-N
XLogP1.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2S,4S)-2-ethenyl-4-(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

(1R,2S,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid
CID 24813508
(1R,2R,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid
CID 24813509
methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 24813511
methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-[[(1S,3R,4R)-3-[(E)-2-iodoethenyl]-4-methoxycarbonylcyclopentyl]oxymethoxy]cyclopentane-1-carboxylate
CID 135013095
ethyl (1R,2S,4S)-2-ethenyl-4-(2-methoxyethoxymethoxy)cyclopentane-1-carboxylate
CID 135024125
methyl (1R,2S,4S)-2-[(E)-6-hydroxyhept-1-enyl]-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 135024214
methyl (1R,2R,4S)-4-hydroxy-2-[(E)-2-iodoethenyl]cyclopentane-1-carboxylate
CID 135038037
methyl (1R,2R,3R)-2-fluoro-3-hydroxy-2-prop-2-enylcyclopentane-1-carboxylate
CID 157119479
methyl (1R,2S,3R)-2-fluoro-3-hydroxy-2-prop-2-enylcyclopentane-1-carboxylate
CID 158149649
methyl (1R,2R,3S)-2-fluoro-3-hydroxy-2-prop-2-enylcyclopentane-1-carboxylate
CID 158149650
Bbvhxlfejawelm-kxucptdwsa-
CID 10899991
methyl (1S,2S,4S)-2-ethenyl-4-ethoxycyclopentane-1-carboxylate
CID 101616353

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid?
The IUPAC name of (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid (CID 16724578) is (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid is C=C[C@@H]1C[C@H](OCOC)C[C@H]1C(=O)O.
What is the InChIKey of (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid?
The InChIKey is XIXQHNLKPGJGMB-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-7-4-8(14-6-13-2)5-9(7)10(11)12/h3,7-9H,1,4-6H2,2H3,(H,11,12)/t7-,8+,9-/m1/s1.
What are the key properties of (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid?
(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid has a molecular weight of 200.23 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 16724578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).