trans-methoxymethyl (3R,4R)-3-(dimethoxymethyl)-4-(methoxymethoxy)cyclopentane-1-carboxylate

C13H24O7 — CID 13321597

IUPACtrans-methoxymethyl (3R,4R)-3-(dimethoxymethyl)-4-(methoxymethoxy)cyclopentane-1-carboxylate
SMILESCOCOC(=O)C1C[C@@H](OCOC)[C@H](C(OC)OC)C1
InChIInChI=1S/C13H24O7/c1-15-7-19-11-6-9(12(14)20-8-16-2)5-10(11)13(17-3)18-4/h9-11,13H,5-8H2,1-4H3/t9?,10-,11-/m1/s1
InChIKeyMHXRRZCLTOGRFE-FHZGLPGMSA-N
MW292.33 g/mol
LogP0.77
Rot. Bonds9

About trans-methoxymethyl (3R,4R)-3-(dimethoxymethyl)-4-(methoxymethoxy)cyclopentane-1-carboxylate

trans-methoxymethyl (3R,4R)-3-(dimethoxymethyl)-4-(methoxymethoxy)cyclopentane-1-carboxylate (PubChem CID 13321597) has the molecular formula C13H24O7 and a molecular weight of 292.33 g/mol. Its IUPAC name is trans-methoxymethyl (3R,4R)-3-(dimethoxymethyl)-4-(methoxymethoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-methoxymethyl (3R,4R)-3-(dimethoxymethyl)-4-(methoxymethoxy)cyclopentane-1-carboxylate
PubChem CID13321597
Molecular FormulaC13H24O7
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Nametrans-methoxymethyl (3R,4R)-3-(dimethoxymethyl)-4-(methoxymethoxy)cyclopentane-1-carboxylate
SMILESCOCOC(=O)C1C[C@@H](OCOC)[C@H](C(OC)OC)C1
InChIInChI=1S/C13H24O7/c1-15-7-19-11-6-9(12(14)20-8-16-2)5-10(11)13(17-3)18-4/h9-11,13H,5-8H2,1-4H3/t9?,10-,11-/m1/s1
InChIKeyMHXRRZCLTOGRFE-FHZGLPGMSA-N
XLogP0.77
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-methoxymethyl (3R,4R)-3-(dimethoxymethyl)-4-(methoxymethoxy)cyclopentane-1-carboxylate?
The IUPAC name of trans-methoxymethyl (3R,4R)-3-(dimethoxymethyl)-4-(methoxymethoxy)cyclopentane-1-carboxylate (CID 13321597) is trans-methoxymethyl (3R,4R)-3-(dimethoxymethyl)-4-(methoxymethoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for trans-methoxymethyl (3R,4R)-3-(dimethoxymethyl)-4-(methoxymethoxy)cyclopentane-1-carboxylate?
The canonical SMILES for trans-methoxymethyl (3R,4R)-3-(dimethoxymethyl)-4-(methoxymethoxy)cyclopentane-1-carboxylate is COCOC(=O)C1C[C@@H](OCOC)[C@H](C(OC)OC)C1.
What is the InChIKey of trans-methoxymethyl (3R,4R)-3-(dimethoxymethyl)-4-(methoxymethoxy)cyclopentane-1-carboxylate?
The InChIKey is MHXRRZCLTOGRFE-FHZGLPGMSA-N. The full InChI is InChI=1S/C13H24O7/c1-15-7-19-11-6-9(12(14)20-8-16-2)5-10(11)13(17-3)18-4/h9-11,13H,5-8H2,1-4H3/t9?,10-,11-/m1/s1.
What are the key properties of trans-methoxymethyl (3R,4R)-3-(dimethoxymethyl)-4-(methoxymethoxy)cyclopentane-1-carboxylate?
trans-methoxymethyl (3R,4R)-3-(dimethoxymethyl)-4-(methoxymethoxy)cyclopentane-1-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 0.77, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methoxymethyl (3R,4R)-3-(dimethoxymethyl)-4-(methoxymethoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 13321597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).