trans-dimethyl (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate

C15H22O4 — CID 134965516

IUPACtrans-dimethyl (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate
SMILESC=C[C@@]1(C)CC(C(=O)OC)(C(=O)OC)C[C@H]1C(=C)C
InChIInChI=1S/C15H22O4/c1-7-14(4)9-15(12(16)18-5,13(17)19-6)8-11(14)10(2)3/h7,11H,1-2,8-9H2,3-6H3/t11-,14-/m0/s1
InChIKeyKAVCVSKAXSIPRF-FZMZJTMJSA-N
MW266.34 g/mol
LogP2.50
Rot. Bonds4

About trans-dimethyl (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate

trans-dimethyl (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate (PubChem CID 134965516) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is trans-dimethyl (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Nametrans-dimethyl (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate
PubChem CID134965516
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Nametrans-dimethyl (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate
SMILESC=C[C@@]1(C)CC(C(=O)OC)(C(=O)OC)C[C@H]1C(=C)C
InChIInChI=1S/C15H22O4/c1-7-14(4)9-15(12(16)18-5,13(17)19-6)8-11(14)10(2)3/h7,11H,1-2,8-9H2,3-6H3/t11-,14-/m0/s1
InChIKeyKAVCVSKAXSIPRF-FZMZJTMJSA-N
XLogP2.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trans-dimethyl (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate with MolForge

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Related Compounds

Diethyl 3-methylene-4-vinylcyclopentane-1,1-dicarboxylate
CID 11776993
Dimethyl 3-methylene-4-vinyl-1,1-cyclopentanedicarboxylate
CID 10537100
Dimethyl 3-methyl-4-methylidenecyclopentane-1,1-dicarboxylate
CID 11009242
cis-ethyl (1R,2R)-2-methyl-1-(2-methylprop-2-enyl)-5-oxocyclopentane-1-carboxylate
CID 11075059
dimethyl (3aS,7aR)-3-methylidene-3a,6,7,7a-tetrahydro-2H-indene-1,1-dicarboxylate
CID 14120765
Qmaoulsqwrxrej-uhfffaoysa-
CID 15204815
methyl (1R,2R,5R)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentane-1-carboxylate
CID 56595630
dimethyl (3aS,7aR)-3,3-dimethyl-3a,6,7,7a-tetrahydro-2H-indene-1,1-dicarboxylate
CID 134980504
methyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate
CID 162420347
methyl 2-[(1S)-1,2-dimethyl-3-methylidenecyclopentyl]acetate
CID 162420348
dimethyl (4Z)-3-ethenyl-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
CID 176421935
Diethyl 3-methylbicyclo[2.2.1]hept-5-ene-2,2-dicarboxylate
CID 272789

Frequently Asked Questions

What is the IUPAC name of trans-dimethyl (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate?
The IUPAC name of trans-dimethyl (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate (CID 134965516) is trans-dimethyl (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate.
What is the SMILES notation for trans-dimethyl (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate?
The canonical SMILES for trans-dimethyl (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate is C=C[C@@]1(C)CC(C(=O)OC)(C(=O)OC)C[C@H]1C(=C)C.
What is the InChIKey of trans-dimethyl (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate?
The InChIKey is KAVCVSKAXSIPRF-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H22O4/c1-7-14(4)9-15(12(16)18-5,13(17)19-6)8-11(14)10(2)3/h7,11H,1-2,8-9H2,3-6H3/t11-,14-/m0/s1.
What are the key properties of trans-dimethyl (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate?
trans-dimethyl (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-dimethyl (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 134965516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).