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

C11H17IO4 — CID 24813511

IUPACmethyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-(methoxymethoxy)cyclopentane-1-carboxylate
SMILESCOCO[C@H]1C[C@@H](/C=C/I)[C@H](C(=O)OC)C1
InChIInChI=1S/C11H17IO4/c1-14-7-16-9-5-8(3-4-12)10(6-9)11(13)15-2/h3-4,8-10H,5-7H2,1-2H3/b4-3+/t8-,9+,10-/m1/s1
InChIKeyCUUNQGYGVSXSCL-DXQGWMINSA-N
MW340.16 g/mol
LogP2.12
Rot. Bonds5

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

methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-(methoxymethoxy)cyclopentane-1-carboxylate (PubChem CID 24813511) has the molecular formula C11H17IO4 and a molecular weight of 340.16 g/mol. Its IUPAC name is methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-(methoxymethoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-(methoxymethoxy)cyclopentane-1-carboxylate
PubChem CID24813511
Molecular FormulaC11H17IO4
Molecular Weight340.16 g/mol
Exact Mass340.02
IUPAC Namemethyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-(methoxymethoxy)cyclopentane-1-carboxylate
SMILESCOCO[C@H]1C[C@@H](/C=C/I)[C@H](C(=O)OC)C1
InChIInChI=1S/C11H17IO4/c1-14-7-16-9-5-8(3-4-12)10(6-9)11(13)15-2/h3-4,8-10H,5-7H2,1-2H3/b4-3+/t8-,9+,10-/m1/s1
InChIKeyCUUNQGYGVSXSCL-DXQGWMINSA-N
XLogP2.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-[[(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
Bbvhxlfejawelm-kxucptdwsa-
CID 10899991
methyl (1S,2S,4S)-2-ethenyl-4-ethoxycyclopentane-1-carboxylate
CID 101616353
methyl (1S,2R,4S)-2-ethenyl-4-ethoxycyclopentane-1-carboxylate
CID 101616360
ethyl (1R,2R,4R)-2-ethenyl-4-(2-methoxyethoxymethoxy)cyclopentane-1-carboxylate
CID 10869427
methyl (3R,5S)-3-ethenyl-6-iodo-5-(methoxymethoxy)hexanoate
CID 10991484
ethyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 16724637
methyl (1R,2S,4S)-2-ethenyl-4-ethoxycyclopentane-1-carboxylate
CID 101616346

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-(methoxymethoxy)cyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-(methoxymethoxy)cyclopentane-1-carboxylate (CID 24813511) is methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-(methoxymethoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-(methoxymethoxy)cyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-(methoxymethoxy)cyclopentane-1-carboxylate is COCO[C@H]1C[C@@H](/C=C/I)[C@H](C(=O)OC)C1.
What is the InChIKey of methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-(methoxymethoxy)cyclopentane-1-carboxylate?
The InChIKey is CUUNQGYGVSXSCL-DXQGWMINSA-N. The full InChI is InChI=1S/C11H17IO4/c1-14-7-16-9-5-8(3-4-12)10(6-9)11(13)15-2/h3-4,8-10H,5-7H2,1-2H3/b4-3+/t8-,9+,10-/m1/s1.
What are the key properties of methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-(methoxymethoxy)cyclopentane-1-carboxylate?
methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-(methoxymethoxy)cyclopentane-1-carboxylate has a molecular weight of 340.16 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-(methoxymethoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 24813511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).