methyl (1R,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate

C10H16O5 — CID 24813510

IUPACmethyl (1R,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
SMILESCOCO[C@H]1C[C@@H](C=O)[C@H](C(=O)OC)C1
InChIInChI=1S/C10H16O5/c1-13-6-15-8-3-7(5-11)9(4-8)10(12)14-2/h5,7-9H,3-4,6H2,1-2H3/t7-,8-,9+/m0/s1
InChIKeyOTJSWLHQGWEUEO-XHNCKOQMSA-N
MW216.23 g/mol
LogP0.37
Rot. Bonds5

About methyl (1R,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate

methyl (1R,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate (PubChem CID 24813510) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is methyl (1R,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
PubChem CID24813510
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namemethyl (1R,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
SMILESCOCO[C@H]1C[C@@H](C=O)[C@H](C(=O)OC)C1
InChIInChI=1S/C10H16O5/c1-13-6-15-8-3-7(5-11)9(4-8)10(12)14-2/h5,7-9H,3-4,6H2,1-2H3/t7-,8-,9+/m0/s1
InChIKeyOTJSWLHQGWEUEO-XHNCKOQMSA-N
XLogP0.37
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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 3,3-dimethoxy-1-(2-oxoethyl)cyclopentane-1-carboxylate
CID 134841247
trans-(1R,2R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylic acid
CID 135037953
methyl (1S,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 135037971
Cyclopentane, 1-(S)-acetyl-2-(R)-methoxycarbonylmethyl-4-(R)-(2-methoxyethoxymethoxy)-
CID 547764
Cyclopentane, 1-(S)-(2-methyl-1,3-dioxolan-2-yl)-2-(R)-formylmethyl-4-(R)-(2-methoxyethoxymethoxy)-
CID 560017
3-Oxabicyclo[3.3.0]octan-2-one, 4,7,7-tris(methoxy)-
CID 566262
1,4-Dioxaspiro[4.4]nonane-7,8-dicarboxylic acid, diethyl ester
CID 588504
dimethyl (2R,3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2,3-dicarboxylate
CID 14489533
Dimethyl 1,4-Dioxaspiro[4.4]nonane-7,8-dicarboxylate
CID 12774285
dimethyl (7R,8R)-1,4-dioxaspiro[4.4]nonane-7,8-dicarboxylate
CID 12774286

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate (CID 24813510) is methyl (1R,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate is COCO[C@H]1C[C@@H](C=O)[C@H](C(=O)OC)C1.
What is the InChIKey of methyl (1R,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate?
The InChIKey is OTJSWLHQGWEUEO-XHNCKOQMSA-N. The full InChI is InChI=1S/C10H16O5/c1-13-6-15-8-3-7(5-11)9(4-8)10(12)14-2/h5,7-9H,3-4,6H2,1-2H3/t7-,8-,9+/m0/s1.
What are the key properties of methyl (1R,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate?
methyl (1R,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate has a molecular weight of 216.23 g/mol, XLogP of 0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 24813510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).