[(2R)-but-3-en-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate

C15H20O4 — CID 66791668

IUPAC[(2R)-but-3-en-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate
SMILESC=C[C@@H](C)OC(=O)/C=C/C1=CCCC2(C1)OCCO2
InChIInChI=1S/C15H20O4/c1-3-12(2)19-14(16)7-6-13-5-4-8-15(11-13)17-9-10-18-15/h3,5-7,12H,1,4,8-11H2,2H3/b7-6+/t12-/m1/s1
InChIKeyOXBKMPYEGAVUMO-NNNHXZLVSA-N
MW264.32 g/mol
LogP2.51
Rot. Bonds4

About [(2R)-but-3-en-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate

[(2R)-but-3-en-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate (PubChem CID 66791668) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is [(2R)-but-3-en-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate.

Molecular Properties

Compound Name[(2R)-but-3-en-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate
PubChem CID66791668
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name[(2R)-but-3-en-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate
SMILESC=C[C@@H](C)OC(=O)/C=C/C1=CCCC2(C1)OCCO2
InChIInChI=1S/C15H20O4/c1-3-12(2)19-14(16)7-6-13-5-4-8-15(11-13)17-9-10-18-15/h3,5-7,12H,1,4,8-11H2,2H3/b7-6+/t12-/m1/s1
InChIKeyOXBKMPYEGAVUMO-NNNHXZLVSA-N
XLogP2.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-but-3-en-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate?
The IUPAC name of [(2R)-but-3-en-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate (CID 66791668) is [(2R)-but-3-en-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate.
What is the SMILES notation for [(2R)-but-3-en-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate?
The canonical SMILES for [(2R)-but-3-en-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate is C=C[C@@H](C)OC(=O)/C=C/C1=CCCC2(C1)OCCO2.
What is the InChIKey of [(2R)-but-3-en-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate?
The InChIKey is OXBKMPYEGAVUMO-NNNHXZLVSA-N. The full InChI is InChI=1S/C15H20O4/c1-3-12(2)19-14(16)7-6-13-5-4-8-15(11-13)17-9-10-18-15/h3,5-7,12H,1,4,8-11H2,2H3/b7-6+/t12-/m1/s1.
What are the key properties of [(2R)-but-3-en-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate?
[(2R)-but-3-en-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-but-3-en-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate is sourced from PubChem (CID 66791668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).