[(1R,2S,3R,4S)-2-formyl-4-methoxy-3-(methoxymethyl)cyclopentyl] formate

C10H16O5 — CID 58400402

IUPAC[(1R,2S,3R,4S)-2-formyl-4-methoxy-3-(methoxymethyl)cyclopentyl] formate
SMILESCOC[C@H]1[C@H](C=O)[C@H](OC=O)C[C@@H]1OC
InChIInChI=1S/C10H16O5/c1-13-5-8-7(4-11)10(15-6-12)3-9(8)14-2/h4,6-10H,3,5H2,1-2H3/t7-,8-,9-,10+/m0/s1
InChIKeyXMTDNRYITQKCIN-AATLWQCWSA-N
MW216.23 g/mol
LogP0.02
Rot. Bonds6

About [(1R,2S,3R,4S)-2-formyl-4-methoxy-3-(methoxymethyl)cyclopentyl] formate

[(1R,2S,3R,4S)-2-formyl-4-methoxy-3-(methoxymethyl)cyclopentyl] formate (PubChem CID 58400402) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is [(1R,2S,3R,4S)-2-formyl-4-methoxy-3-(methoxymethyl)cyclopentyl] formate.

Molecular Properties

Compound Name[(1R,2S,3R,4S)-2-formyl-4-methoxy-3-(methoxymethyl)cyclopentyl] formate
PubChem CID58400402
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name[(1R,2S,3R,4S)-2-formyl-4-methoxy-3-(methoxymethyl)cyclopentyl] formate
SMILESCOC[C@H]1[C@H](C=O)[C@H](OC=O)C[C@@H]1OC
InChIInChI=1S/C10H16O5/c1-13-5-8-7(4-11)10(15-6-12)3-9(8)14-2/h4,6-10H,3,5H2,1-2H3/t7-,8-,9-,10+/m0/s1
InChIKeyXMTDNRYITQKCIN-AATLWQCWSA-N
XLogP0.02
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R,4S)-2-formyl-4-methoxy-3-(methoxymethyl)cyclopentyl] formate?
The IUPAC name of [(1R,2S,3R,4S)-2-formyl-4-methoxy-3-(methoxymethyl)cyclopentyl] formate (CID 58400402) is [(1R,2S,3R,4S)-2-formyl-4-methoxy-3-(methoxymethyl)cyclopentyl] formate.
What is the SMILES notation for [(1R,2S,3R,4S)-2-formyl-4-methoxy-3-(methoxymethyl)cyclopentyl] formate?
The canonical SMILES for [(1R,2S,3R,4S)-2-formyl-4-methoxy-3-(methoxymethyl)cyclopentyl] formate is COC[C@H]1[C@H](C=O)[C@H](OC=O)C[C@@H]1OC.
What is the InChIKey of [(1R,2S,3R,4S)-2-formyl-4-methoxy-3-(methoxymethyl)cyclopentyl] formate?
The InChIKey is XMTDNRYITQKCIN-AATLWQCWSA-N. The full InChI is InChI=1S/C10H16O5/c1-13-5-8-7(4-11)10(15-6-12)3-9(8)14-2/h4,6-10H,3,5H2,1-2H3/t7-,8-,9-,10+/m0/s1.
What are the key properties of [(1R,2S,3R,4S)-2-formyl-4-methoxy-3-(methoxymethyl)cyclopentyl] formate?
[(1R,2S,3R,4S)-2-formyl-4-methoxy-3-(methoxymethyl)cyclopentyl] formate has a molecular weight of 216.23 g/mol, XLogP of 0.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R,4S)-2-formyl-4-methoxy-3-(methoxymethyl)cyclopentyl] formate is sourced from PubChem (CID 58400402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).