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

C15H22O4 — CID 70859665

IUPAC[(2R)-butan-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate
SMILESCC[C@@H](C)OC(=O)/C=C/C1=CCCC2(C1)OCCO2
InChIInChI=1S/C15H22O4/c1-3-12(2)19-14(16)7-6-13-5-4-8-15(11-13)17-9-10-18-15/h5-7,12H,3-4,8-11H2,1-2H3/b7-6+/t12-/m1/s1
InChIKeyWNUSXTPXFXHZKE-NNNHXZLVSA-N
MW266.34 g/mol
LogP2.74
Rot. Bonds4

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

[(2R)-butan-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate (PubChem CID 70859665) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is [(2R)-butan-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate.

Molecular Properties

Compound Name[(2R)-butan-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate
PubChem CID70859665
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name[(2R)-butan-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate
SMILESCC[C@@H](C)OC(=O)/C=C/C1=CCCC2(C1)OCCO2
InChIInChI=1S/C15H22O4/c1-3-12(2)19-14(16)7-6-13-5-4-8-15(11-13)17-9-10-18-15/h5-7,12H,3-4,8-11H2,1-2H3/b7-6+/t12-/m1/s1
InChIKeyWNUSXTPXFXHZKE-NNNHXZLVSA-N
XLogP2.74
TPSA44.76 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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-butan-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate?
The IUPAC name of [(2R)-butan-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate (CID 70859665) is [(2R)-butan-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate.
What is the SMILES notation for [(2R)-butan-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate?
The canonical SMILES for [(2R)-butan-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate is CC[C@@H](C)OC(=O)/C=C/C1=CCCC2(C1)OCCO2.
What is the InChIKey of [(2R)-butan-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate?
The InChIKey is WNUSXTPXFXHZKE-NNNHXZLVSA-N. The full InChI is InChI=1S/C15H22O4/c1-3-12(2)19-14(16)7-6-13-5-4-8-15(11-13)17-9-10-18-15/h5-7,12H,3-4,8-11H2,1-2H3/b7-6+/t12-/m1/s1.
What are the key properties of [(2R)-butan-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate?
[(2R)-butan-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate has a molecular weight of 266.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-butan-2-yl] (E)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)prop-2-enoate is sourced from PubChem (CID 70859665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).