dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate

C14H22O5 — CID 132541518

IUPACdimethyl (3R)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)C[C@H]1C(C)(C)OC
InChIInChI=1S/C14H22O5/c1-9-7-14(11(15)17-4,12(16)18-5)8-10(9)13(2,3)19-6/h10H,1,7-8H2,2-6H3/t10-/m1/s1
InChIKeyJWNQBRXEALGAFU-SNVBAGLBSA-N
MW270.32 g/mol
LogP1.71
Rot. Bonds4

About dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate

dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate (PubChem CID 132541518) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3R)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate
PubChem CID132541518
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Namedimethyl (3R)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)C[C@H]1C(C)(C)OC
InChIInChI=1S/C14H22O5/c1-9-7-14(11(15)17-4,12(16)18-5)8-10(9)13(2,3)19-6/h10H,1,7-8H2,2-6H3/t10-/m1/s1
InChIKeyJWNQBRXEALGAFU-SNVBAGLBSA-N
XLogP1.71
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Dimethyl 3-(2-methoxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate
CID 11521873
Dimethyl 3-methylidene-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate
CID 11791244
Dimethyl 3-(2-hydroxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate
CID 15483044
dimethyl (3S)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate
CID 101732747
dimethyl (3S)-3-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 101733780
dimethyl (4S)-3-methylidene-4-[(2S)-2-methyloxolan-2-yl]cyclopentane-1,1-dicarboxylate
CID 102180156
Dimethyl 3-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate
CID 102311059
Trimethyl 4-prop-1-en-2-ylcyclopentane-1,1,3-tricarboxylate
CID 134900408
dimethyl (3S)-3-[(2S)-2,5-dimethyloxolan-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 135005698
dimethyl (3S)-3-[(2S)-5-tert-butyl-2-methyloxolan-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 135006371
dimethyl (3S)-3-[(2S)-5-ethenyl-2-methyloxolan-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 135006372
dimethyl (3R)-3-(2-hydroxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate
CID 135054985

Frequently Asked Questions

What is the IUPAC name of dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate (CID 132541518) is dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate is C=C1CC(C(=O)OC)(C(=O)OC)C[C@H]1C(C)(C)OC.
What is the InChIKey of dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate?
The InChIKey is JWNQBRXEALGAFU-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22O5/c1-9-7-14(11(15)17-4,12(16)18-5)8-10(9)13(2,3)19-6/h10H,1,7-8H2,2-6H3/t10-/m1/s1.
What are the key properties of dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate?
dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate has a molecular weight of 270.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 132541518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).