[(2R)-2-[4-methyl-2-(2-methylbut-2-enoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbut-2-enoate

C20H24O5 — CID 162992878

IUPAC[(2R)-2-[4-methyl-2-(2-methylbut-2-enoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OC[C@@]1(c2ccc(C)cc2OC(=O)C(C)=CC)CO1
InChIInChI=1S/C20H24O5/c1-6-14(4)18(21)23-11-20(12-24-20)16-9-8-13(3)10-17(16)25-19(22)15(5)7-2/h6-10H,11-12H2,1-5H3/t20-/m0/s1
InChIKeyDHODRBNDPARNFW-FQEVSTJZSA-N
MW344.41 g/mol
LogP3.60
Rot. Bonds6

About [(2R)-2-[4-methyl-2-(2-methylbut-2-enoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbut-2-enoate

[(2R)-2-[4-methyl-2-(2-methylbut-2-enoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbut-2-enoate (PubChem CID 162992878) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is [(2R)-2-[4-methyl-2-(2-methylbut-2-enoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbut-2-enoate.

Molecular Properties

Compound Name[(2R)-2-[4-methyl-2-(2-methylbut-2-enoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbut-2-enoate
PubChem CID162992878
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name[(2R)-2-[4-methyl-2-(2-methylbut-2-enoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OC[C@@]1(c2ccc(C)cc2OC(=O)C(C)=CC)CO1
InChIInChI=1S/C20H24O5/c1-6-14(4)18(21)23-11-20(12-24-20)16-9-8-13(3)10-17(16)25-19(22)15(5)7-2/h6-10H,11-12H2,1-5H3/t20-/m0/s1
InChIKeyDHODRBNDPARNFW-FQEVSTJZSA-N
XLogP3.60
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [(2R)-2-[4-methyl-2-(2-methylbut-2-enoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbut-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)-2-[4-methyl-2-(2-methylbut-2-enoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbut-2-enoate?
The IUPAC name of [(2R)-2-[4-methyl-2-(2-methylbut-2-enoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbut-2-enoate (CID 162992878) is [(2R)-2-[4-methyl-2-(2-methylbut-2-enoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbut-2-enoate.
What is the SMILES notation for [(2R)-2-[4-methyl-2-(2-methylbut-2-enoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbut-2-enoate?
The canonical SMILES for [(2R)-2-[4-methyl-2-(2-methylbut-2-enoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbut-2-enoate is CC=C(C)C(=O)OC[C@@]1(c2ccc(C)cc2OC(=O)C(C)=CC)CO1.
What is the InChIKey of [(2R)-2-[4-methyl-2-(2-methylbut-2-enoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbut-2-enoate?
The InChIKey is DHODRBNDPARNFW-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24O5/c1-6-14(4)18(21)23-11-20(12-24-20)16-9-8-13(3)10-17(16)25-19(22)15(5)7-2/h6-10H,11-12H2,1-5H3/t20-/m0/s1.
What are the key properties of [(2R)-2-[4-methyl-2-(2-methylbut-2-enoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbut-2-enoate?
[(2R)-2-[4-methyl-2-(2-methylbut-2-enoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbut-2-enoate has a molecular weight of 344.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[4-methyl-2-(2-methylbut-2-enoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbut-2-enoate is sourced from PubChem (CID 162992878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).