methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-[[(1S,3R,4R)-3-[(E)-2-iodoethenyl]-4-methoxycarbonylcyclopentyl]oxymethoxy]cyclopentane-1-carboxylate

C19H26I2O6 — CID 135013095

IUPACmethyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-[[(1S,3R,4R)-3-[(E)-2-iodoethenyl]-4-methoxycarbonylcyclopentyl]oxymethoxy]cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](OCO[C@H]2C[C@@H](/C=C/I)[C@H](C(=O)OC)C2)C[C@H]1/C=C/I
InChIInChI=1S/C19H26I2O6/c1-24-18(22)16-9-14(7-12(16)3-5-20)26-11-27-15-8-13(4-6-21)17(10-15)19(23)25-2/h3-6,12-17H,7-11H2,1-2H3/b5-3+,6-4+/t12-,13-,14+,15+,16-,17-/m1/s1
InChIKeyDIYASTFJNUHVRH-BVPZKYDCSA-N
MW604.22 g/mol
LogP4.01
Rot. Bonds8

About methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-[[(1S,3R,4R)-3-[(E)-2-iodoethenyl]-4-methoxycarbonylcyclopentyl]oxymethoxy]cyclopentane-1-carboxylate

methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-[[(1S,3R,4R)-3-[(E)-2-iodoethenyl]-4-methoxycarbonylcyclopentyl]oxymethoxy]cyclopentane-1-carboxylate (PubChem CID 135013095) has the molecular formula C19H26I2O6 and a molecular weight of 604.22 g/mol. Its IUPAC name is methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-[[(1S,3R,4R)-3-[(E)-2-iodoethenyl]-4-methoxycarbonylcyclopentyl]oxymethoxy]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-[[(1S,3R,4R)-3-[(E)-2-iodoethenyl]-4-methoxycarbonylcyclopentyl]oxymethoxy]cyclopentane-1-carboxylate
PubChem CID135013095
Molecular FormulaC19H26I2O6
Molecular Weight604.22 g/mol
Exact Mass603.98
IUPAC Namemethyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-[[(1S,3R,4R)-3-[(E)-2-iodoethenyl]-4-methoxycarbonylcyclopentyl]oxymethoxy]cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](OCO[C@H]2C[C@@H](/C=C/I)[C@H](C(=O)OC)C2)C[C@H]1/C=C/I
InChIInChI=1S/C19H26I2O6/c1-24-18(22)16-9-14(7-12(16)3-5-20)26-11-27-15-8-13(4-6-21)17(10-15)19(23)25-2/h3-6,12-17H,7-11H2,1-2H3/b5-3+,6-4+/t12-,13-,14+,15+,16-,17-/m1/s1
InChIKeyDIYASTFJNUHVRH-BVPZKYDCSA-N
XLogP4.01
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.22
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-[[(1S,3R,4R)-3-[(E)-2-iodoethenyl]-4-methoxycarbonylcyclopentyl]oxymethoxy]cyclopentane-1-carboxylate with MolForge

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Related Compounds

(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid
CID 16724578
methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 24813511
ethyl (1R,2S,4S)-2-ethenyl-4-(2-methoxyethoxymethoxy)cyclopentane-1-carboxylate
CID 135024125
Bbvhxlfejawelm-kxucptdwsa-
CID 10899991
ethyl (1R,2R,4R)-2-ethenyl-4-(2-methoxyethoxymethoxy)cyclopentane-1-carboxylate
CID 10869427
ethyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 16724637

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-[[(1S,3R,4R)-3-[(E)-2-iodoethenyl]-4-methoxycarbonylcyclopentyl]oxymethoxy]cyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-[[(1S,3R,4R)-3-[(E)-2-iodoethenyl]-4-methoxycarbonylcyclopentyl]oxymethoxy]cyclopentane-1-carboxylate (CID 135013095) is methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-[[(1S,3R,4R)-3-[(E)-2-iodoethenyl]-4-methoxycarbonylcyclopentyl]oxymethoxy]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-[[(1S,3R,4R)-3-[(E)-2-iodoethenyl]-4-methoxycarbonylcyclopentyl]oxymethoxy]cyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-[[(1S,3R,4R)-3-[(E)-2-iodoethenyl]-4-methoxycarbonylcyclopentyl]oxymethoxy]cyclopentane-1-carboxylate is COC(=O)[C@@H]1C[C@@H](OCO[C@H]2C[C@@H](/C=C/I)[C@H](C(=O)OC)C2)C[C@H]1/C=C/I.
What is the InChIKey of methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-[[(1S,3R,4R)-3-[(E)-2-iodoethenyl]-4-methoxycarbonylcyclopentyl]oxymethoxy]cyclopentane-1-carboxylate?
The InChIKey is DIYASTFJNUHVRH-BVPZKYDCSA-N. The full InChI is InChI=1S/C19H26I2O6/c1-24-18(22)16-9-14(7-12(16)3-5-20)26-11-27-15-8-13(4-6-21)17(10-15)19(23)25-2/h3-6,12-17H,7-11H2,1-2H3/b5-3+,6-4+/t12-,13-,14+,15+,16-,17-/m1/s1.
What are the key properties of methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-[[(1S,3R,4R)-3-[(E)-2-iodoethenyl]-4-methoxycarbonylcyclopentyl]oxymethoxy]cyclopentane-1-carboxylate?
methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-[[(1S,3R,4R)-3-[(E)-2-iodoethenyl]-4-methoxycarbonylcyclopentyl]oxymethoxy]cyclopentane-1-carboxylate has a molecular weight of 604.22 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-[[(1S,3R,4R)-3-[(E)-2-iodoethenyl]-4-methoxycarbonylcyclopentyl]oxymethoxy]cyclopentane-1-carboxylate is sourced from PubChem (CID 135013095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).