ethyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate

C12H20O4 — CID 16724637

IUPACethyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
SMILESC=C[C@@H]1C[C@H](OCOC)C[C@H]1C(=O)OCC
InChIInChI=1S/C12H20O4/c1-4-9-6-10(16-8-14-3)7-11(9)12(13)15-5-2/h4,9-11H,1,5-8H2,2-3H3/t9-,10+,11-/m1/s1
InChIKeyBGEYYOIYDWLKMR-OUAUKWLOSA-N
MW228.29 g/mol
LogP1.75
Rot. Bonds6

About ethyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate

ethyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate (PubChem CID 16724637) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
PubChem CID16724637
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Nameethyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
SMILESC=C[C@@H]1C[C@H](OCOC)C[C@H]1C(=O)OCC
InChIInChI=1S/C12H20O4/c1-4-9-6-10(16-8-14-3)7-11(9)12(13)15-5-2/h4,9-11H,1,5-8H2,2-3H3/t9-,10+,11-/m1/s1
InChIKeyBGEYYOIYDWLKMR-OUAUKWLOSA-N
XLogP1.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.75
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(8R,9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]acetate
CID 10681510
methyl (1S,2R,3S,5S)-2-methyl-3-(oxan-2-yloxy)-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 10978923
(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid
CID 16724578
[(2S)-hept-6-en-2-yl] 3-[(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentyl]-3-oxopropanoate
CID 16724677
methyl (1R,2R,4S)-2-[(E)-2-iodoethenyl]-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 24813511
methyl (1S,2R,3S,5S)-2-methyl-3-[(E)-2-(oxan-2-yloxy)ethenoxy]-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 134916400
methyl (1R,2R,3S,5S)-2-methyl-3-(oxan-2-yloxy)-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 134980480
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
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CID 10899991
Methyl 2-(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate
CID 85231002

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate?
The IUPAC name of ethyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate (CID 16724637) is ethyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate is C=C[C@@H]1C[C@H](OCOC)C[C@H]1C(=O)OCC.
What is the InChIKey of ethyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate?
The InChIKey is BGEYYOIYDWLKMR-OUAUKWLOSA-N. The full InChI is InChI=1S/C12H20O4/c1-4-9-6-10(16-8-14-3)7-11(9)12(13)15-5-2/h4,9-11H,1,5-8H2,2-3H3/t9-,10+,11-/m1/s1.
What are the key properties of ethyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate?
ethyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 16724637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).