diethyl (2R)-2-ethenyl-3-propan-2-ylidenecyclopentane-1,1-dicarboxylate

C16H24O4 — CID 11630536

IUPACdiethyl (2R)-2-ethenyl-3-propan-2-ylidenecyclopentane-1,1-dicarboxylate
SMILESC=C[C@@H]1C(=C(C)C)CCC1(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C16H24O4/c1-6-13-12(11(4)5)9-10-16(13,14(17)19-7-2)15(18)20-8-3/h6,13H,1,7-10H2,2-5H3/t13-/m1/s1
InChIKeyMEXFJVIMCGUBAM-CYBMUJFWSA-N
MW280.36 g/mol
LogP3.03
Rot. Bonds5

About diethyl (2R)-2-ethenyl-3-propan-2-ylidenecyclopentane-1,1-dicarboxylate

diethyl (2R)-2-ethenyl-3-propan-2-ylidenecyclopentane-1,1-dicarboxylate (PubChem CID 11630536) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is diethyl (2R)-2-ethenyl-3-propan-2-ylidenecyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl (2R)-2-ethenyl-3-propan-2-ylidenecyclopentane-1,1-dicarboxylate
PubChem CID11630536
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Namediethyl (2R)-2-ethenyl-3-propan-2-ylidenecyclopentane-1,1-dicarboxylate
SMILESC=C[C@@H]1C(=C(C)C)CCC1(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C16H24O4/c1-6-13-12(11(4)5)9-10-16(13,14(17)19-7-2)15(18)20-8-3/h6,13H,1,7-10H2,2-5H3/t13-/m1/s1
InChIKeyMEXFJVIMCGUBAM-CYBMUJFWSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.03
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'}

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Related Compounds

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CID 12619317
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ethyl 4-ethenyl-2,2,3-trifluorooxolane-3-carboxylate
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1-O-ethyl 1-O'-(2-phosphonooxyethyl) 2-ethenylcyclopropane-1,1-dicarboxylate
CID 59027122
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CID 11074660
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CID 102361777
diethyl 4-oxo-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,1-dicarboxylate
CID 14817744
cis-ethyl (1S,2S)-2-prop-1-en-2-yl-1-prop-2-enylcyclobutane-1-carboxylate
CID 10632182
diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
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CID 87414825

Frequently Asked Questions

What is the IUPAC name of diethyl (2R)-2-ethenyl-3-propan-2-ylidenecyclopentane-1,1-dicarboxylate?
The IUPAC name of diethyl (2R)-2-ethenyl-3-propan-2-ylidenecyclopentane-1,1-dicarboxylate (CID 11630536) is diethyl (2R)-2-ethenyl-3-propan-2-ylidenecyclopentane-1,1-dicarboxylate.
What is the SMILES notation for diethyl (2R)-2-ethenyl-3-propan-2-ylidenecyclopentane-1,1-dicarboxylate?
The canonical SMILES for diethyl (2R)-2-ethenyl-3-propan-2-ylidenecyclopentane-1,1-dicarboxylate is C=C[C@@H]1C(=C(C)C)CCC1(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl (2R)-2-ethenyl-3-propan-2-ylidenecyclopentane-1,1-dicarboxylate?
The InChIKey is MEXFJVIMCGUBAM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24O4/c1-6-13-12(11(4)5)9-10-16(13,14(17)19-7-2)15(18)20-8-3/h6,13H,1,7-10H2,2-5H3/t13-/m1/s1.
What are the key properties of diethyl (2R)-2-ethenyl-3-propan-2-ylidenecyclopentane-1,1-dicarboxylate?
diethyl (2R)-2-ethenyl-3-propan-2-ylidenecyclopentane-1,1-dicarboxylate has a molecular weight of 280.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R)-2-ethenyl-3-propan-2-ylidenecyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 11630536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).