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

C11H18O4 — CID 10899991

IUPACmethyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
SMILESC=C[C@@H]1C[C@H](OCOC)C[C@H]1C(=O)OC
InChIInChI=1S/C11H18O4/c1-4-8-5-9(15-7-13-2)6-10(8)11(12)14-3/h4,8-10H,1,5-7H2,2-3H3/t8-,9+,10-/m1/s1
InChIKeyBBVHXLFEJAWELM-KXUCPTDWSA-N
MW214.26 g/mol
LogP1.36
Rot. Bonds5

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

methyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate (PubChem CID 10899991) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
PubChem CID10899991
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
SMILESC=C[C@@H]1C[C@H](OCOC)C[C@H]1C(=O)OC
InChIInChI=1S/C11H18O4/c1-4-8-5-9(15-7-13-2)6-10(8)11(12)14-3/h4,8-10H,1,5-7H2,2-3H3/t8-,9+,10-/m1/s1
InChIKeyBBVHXLFEJAWELM-KXUCPTDWSA-N
XLogP1.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.36
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
(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
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-(9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate
CID 85231002
methyl (1S,2S,4S)-2-ethenyl-4-ethoxycyclopentane-1-carboxylate
CID 101616353
methyl (1S,2R,4S)-2-ethenyl-4-ethoxycyclopentane-1-carboxylate
CID 101616360
methyl (1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenylcyclopentane-1-carboxylate
CID 101616361
ethyl (1R,2R,4R)-2-ethenyl-4-(2-methoxyethoxymethoxy)cyclopentane-1-carboxylate
CID 10869427
ethyl (1R,2R,4R)-2-ethenyl-4-hydroxycyclopentane-1-carboxylate
CID 10954210

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate (CID 10899991) is methyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate is C=C[C@@H]1C[C@H](OCOC)C[C@H]1C(=O)OC.
What is the InChIKey of methyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate?
The InChIKey is BBVHXLFEJAWELM-KXUCPTDWSA-N. The full InChI is InChI=1S/C11H18O4/c1-4-8-5-9(15-7-13-2)6-10(8)11(12)14-3/h4,8-10H,1,5-7H2,2-3H3/t8-,9+,10-/m1/s1.
What are the key properties of methyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate?
methyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 10899991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).