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

C14H24O5 — CID 10869427

IUPACethyl (1R,2R,4R)-2-ethenyl-4-(2-methoxyethoxymethoxy)cyclopentane-1-carboxylate
SMILESC=C[C@H]1C[C@@H](OCOCCOC)C[C@H]1C(=O)OCC
InChIInChI=1S/C14H24O5/c1-4-11-8-12(19-10-17-7-6-16-3)9-13(11)14(15)18-5-2/h4,11-13H,1,5-10H2,2-3H3/t11-,12+,13+/m0/s1
InChIKeyHUHSTSUCKGFXQI-YNEHKIRRSA-N
MW272.34 g/mol
LogP1.77
Rot. Bonds9

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

ethyl (1R,2R,4R)-2-ethenyl-4-(2-methoxyethoxymethoxy)cyclopentane-1-carboxylate (PubChem CID 10869427) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl (1R,2R,4R)-2-ethenyl-4-(2-methoxyethoxymethoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R,2R,4R)-2-ethenyl-4-(2-methoxyethoxymethoxy)cyclopentane-1-carboxylate
PubChem CID10869427
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Nameethyl (1R,2R,4R)-2-ethenyl-4-(2-methoxyethoxymethoxy)cyclopentane-1-carboxylate
SMILESC=C[C@H]1C[C@@H](OCOCCOC)C[C@H]1C(=O)OCC
InChIInChI=1S/C14H24O5/c1-4-11-8-12(19-10-17-7-6-16-3)9-13(11)14(15)18-5-2/h4,11-13H,1,5-10H2,2-3H3/t11-,12+,13+/m0/s1
InChIKeyHUHSTSUCKGFXQI-YNEHKIRRSA-N
XLogP1.77
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylenecyclopentanecarboxylate
CID 538045
methyl 2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]acetate
CID 10801860
Cyclopentanecarboxylic acid, 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylene-, methyl ester, trans-S,S,S-
CID 59039565
methyl 2-[(8R,9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]acetate
CID 10681510
(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
cis-methyl (1S,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylidenecyclopentane-1-carboxylate
CID 134900634
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 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methylidenecyclopentane-1-carboxylate
CID 568077
Bbvhxlfejawelm-kxucptdwsa-
CID 10899991

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,2R,4R)-2-ethenyl-4-(2-methoxyethoxymethoxy)cyclopentane-1-carboxylate?
The IUPAC name of ethyl (1R,2R,4R)-2-ethenyl-4-(2-methoxyethoxymethoxy)cyclopentane-1-carboxylate (CID 10869427) is ethyl (1R,2R,4R)-2-ethenyl-4-(2-methoxyethoxymethoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (1R,2R,4R)-2-ethenyl-4-(2-methoxyethoxymethoxy)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl (1R,2R,4R)-2-ethenyl-4-(2-methoxyethoxymethoxy)cyclopentane-1-carboxylate is C=C[C@H]1C[C@@H](OCOCCOC)C[C@H]1C(=O)OCC.
What is the InChIKey of ethyl (1R,2R,4R)-2-ethenyl-4-(2-methoxyethoxymethoxy)cyclopentane-1-carboxylate?
The InChIKey is HUHSTSUCKGFXQI-YNEHKIRRSA-N. The full InChI is InChI=1S/C14H24O5/c1-4-11-8-12(19-10-17-7-6-16-3)9-13(11)14(15)18-5-2/h4,11-13H,1,5-10H2,2-3H3/t11-,12+,13+/m0/s1.
What are the key properties of ethyl (1R,2R,4R)-2-ethenyl-4-(2-methoxyethoxymethoxy)cyclopentane-1-carboxylate?
ethyl (1R,2R,4R)-2-ethenyl-4-(2-methoxyethoxymethoxy)cyclopentane-1-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 1.77, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,2R,4R)-2-ethenyl-4-(2-methoxyethoxymethoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 10869427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).