dimethyl (4S)-3-methylidene-4-[(2S)-2-methyloxolan-2-yl]cyclopentane-1,1-dicarboxylate

C15H22O5 — CID 102180156

IUPACdimethyl (4S)-3-methylidene-4-[(2S)-2-methyloxolan-2-yl]cyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)C[C@@H]1[C@]1(C)CCCO1
InChIInChI=1S/C15H22O5/c1-10-8-15(12(16)18-3,13(17)19-4)9-11(10)14(2)6-5-7-20-14/h11H,1,5-9H2,2-4H3/t11-,14-/m0/s1
InChIKeyUGGSSZJOHVZFBA-FZMZJTMJSA-N
MW282.34 g/mol
LogP1.85
Rot. Bonds3

About dimethyl (4S)-3-methylidene-4-[(2S)-2-methyloxolan-2-yl]cyclopentane-1,1-dicarboxylate

dimethyl (4S)-3-methylidene-4-[(2S)-2-methyloxolan-2-yl]cyclopentane-1,1-dicarboxylate (PubChem CID 102180156) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is dimethyl (4S)-3-methylidene-4-[(2S)-2-methyloxolan-2-yl]cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4S)-3-methylidene-4-[(2S)-2-methyloxolan-2-yl]cyclopentane-1,1-dicarboxylate
PubChem CID102180156
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Namedimethyl (4S)-3-methylidene-4-[(2S)-2-methyloxolan-2-yl]cyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)C[C@@H]1[C@]1(C)CCCO1
InChIInChI=1S/C15H22O5/c1-10-8-15(12(16)18-3,13(17)19-4)9-11(10)14(2)6-5-7-20-14/h11H,1,5-9H2,2-4H3/t11-,14-/m0/s1
InChIKeyUGGSSZJOHVZFBA-FZMZJTMJSA-N
XLogP1.85
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.85
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-(2-hydroxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate
CID 15483044
dimethyl (1R,2R,8S)-1-methyl-11-oxatricyclo[6.2.1.02,6]undec-6-ene-4,4-dicarboxylate
CID 101409336
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
cis-diethyl (3S,4R)-3-methyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate
CID 101897662
dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate
CID 132541518
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 (3S)-3-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 135006376

Frequently Asked Questions

What is the IUPAC name of dimethyl (4S)-3-methylidene-4-[(2S)-2-methyloxolan-2-yl]cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (4S)-3-methylidene-4-[(2S)-2-methyloxolan-2-yl]cyclopentane-1,1-dicarboxylate (CID 102180156) is dimethyl (4S)-3-methylidene-4-[(2S)-2-methyloxolan-2-yl]cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (4S)-3-methylidene-4-[(2S)-2-methyloxolan-2-yl]cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (4S)-3-methylidene-4-[(2S)-2-methyloxolan-2-yl]cyclopentane-1,1-dicarboxylate is C=C1CC(C(=O)OC)(C(=O)OC)C[C@@H]1[C@]1(C)CCCO1.
What is the InChIKey of dimethyl (4S)-3-methylidene-4-[(2S)-2-methyloxolan-2-yl]cyclopentane-1,1-dicarboxylate?
The InChIKey is UGGSSZJOHVZFBA-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H22O5/c1-10-8-15(12(16)18-3,13(17)19-4)9-11(10)14(2)6-5-7-20-14/h11H,1,5-9H2,2-4H3/t11-,14-/m0/s1.
What are the key properties of dimethyl (4S)-3-methylidene-4-[(2S)-2-methyloxolan-2-yl]cyclopentane-1,1-dicarboxylate?
dimethyl (4S)-3-methylidene-4-[(2S)-2-methyloxolan-2-yl]cyclopentane-1,1-dicarboxylate has a molecular weight of 282.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4S)-3-methylidene-4-[(2S)-2-methyloxolan-2-yl]cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 102180156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).