dimethyl (3S)-3-[(2S)-5-ethenyl-2-methyloxolan-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate

C17H24O5 — CID 135006372

IUPACdimethyl (3S)-3-[(2S)-5-ethenyl-2-methyloxolan-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate
SMILESC=CC1CC[C@@](C)([C@H]2CC(C(=O)OC)(C(=O)OC)CC2=C)O1
InChIInChI=1S/C17H24O5/c1-6-12-7-8-16(3,22-12)13-10-17(9-11(13)2,14(18)20-4)15(19)21-5/h6,12-13H,1-2,7-10H2,3-5H3/t12?,13-,16-/m0/s1
InChIKeyZRSLBDWSJBOTTM-XGFYENRKSA-N
MW308.37 g/mol
LogP2.41
Rot. Bonds4

About dimethyl (3S)-3-[(2S)-5-ethenyl-2-methyloxolan-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate

dimethyl (3S)-3-[(2S)-5-ethenyl-2-methyloxolan-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate (PubChem CID 135006372) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is dimethyl (3S)-3-[(2S)-5-ethenyl-2-methyloxolan-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3S)-3-[(2S)-5-ethenyl-2-methyloxolan-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate
PubChem CID135006372
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Namedimethyl (3S)-3-[(2S)-5-ethenyl-2-methyloxolan-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate
SMILESC=CC1CC[C@@](C)([C@H]2CC(C(=O)OC)(C(=O)OC)CC2=C)O1
InChIInChI=1S/C17H24O5/c1-6-12-7-8-16(3,22-12)13-10-17(9-11(13)2,14(18)20-4)15(19)21-5/h6,12-13H,1-2,7-10H2,3-5H3/t12?,13-,16-/m0/s1
InChIKeyZRSLBDWSJBOTTM-XGFYENRKSA-N
XLogP2.41
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.41
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 (1R,2R,8R)-1-methyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-ene-4,4-dicarboxylate
CID 11957799
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 (4S)-3-methylidene-4-[(2S)-2-methyloxolan-2-yl]cyclopentane-1,1-dicarboxylate
CID 102180156
dimethyl (3R)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentane-1,1-dicarboxylate
CID 132541518
dimethyl (1R,5S,7S)-6-propan-2-ylidene-10-oxatricyclo[5.2.1.01,5]dec-8-ene-3,3-dicarboxylate
CID 134942099
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-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 135006376
cis-dimethyl (2S,4R)-2-(2-acetyloxyethyl)-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate
CID 135028108
dimethyl (3R,7aR)-3-cyclopropyl-1,1-dimethyl-3,5,7,7a-tetrahydrocyclopenta[c]pyran-6,6-dicarboxylate
CID 135055795

Frequently Asked Questions

What is the IUPAC name of dimethyl (3S)-3-[(2S)-5-ethenyl-2-methyloxolan-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (3S)-3-[(2S)-5-ethenyl-2-methyloxolan-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate (CID 135006372) is dimethyl (3S)-3-[(2S)-5-ethenyl-2-methyloxolan-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (3S)-3-[(2S)-5-ethenyl-2-methyloxolan-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (3S)-3-[(2S)-5-ethenyl-2-methyloxolan-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate is C=CC1CC[C@@](C)([C@H]2CC(C(=O)OC)(C(=O)OC)CC2=C)O1.
What is the InChIKey of dimethyl (3S)-3-[(2S)-5-ethenyl-2-methyloxolan-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate?
The InChIKey is ZRSLBDWSJBOTTM-XGFYENRKSA-N. The full InChI is InChI=1S/C17H24O5/c1-6-12-7-8-16(3,22-12)13-10-17(9-11(13)2,14(18)20-4)15(19)21-5/h6,12-13H,1-2,7-10H2,3-5H3/t12?,13-,16-/m0/s1.
What are the key properties of dimethyl (3S)-3-[(2S)-5-ethenyl-2-methyloxolan-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate?
dimethyl (3S)-3-[(2S)-5-ethenyl-2-methyloxolan-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate has a molecular weight of 308.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3S)-3-[(2S)-5-ethenyl-2-methyloxolan-2-yl]-4-methylidenecyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 135006372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).