methyl (E)-2,2-dimethoxy-4-methyl-5-phenylpent-4-enoate

C15H20O4 — CID 15405998

IUPACmethyl (E)-2,2-dimethoxy-4-methyl-5-phenylpent-4-enoate
SMILESCOC(=O)C(C/C(C)=C/c1ccccc1)(OC)OC
InChIInChI=1S/C15H20O4/c1-12(10-13-8-6-5-7-9-13)11-15(18-3,19-4)14(16)17-2/h5-10H,11H2,1-4H3/b12-10+
InChIKeyXPACSNDZUKNYNB-ZRDIBKRKSA-N
MW264.32 g/mol
LogP2.64
Rot. Bonds6

About methyl (E)-2,2-dimethoxy-4-methyl-5-phenylpent-4-enoate

methyl (E)-2,2-dimethoxy-4-methyl-5-phenylpent-4-enoate (PubChem CID 15405998) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl (E)-2,2-dimethoxy-4-methyl-5-phenylpent-4-enoate.

Molecular Properties

Compound Namemethyl (E)-2,2-dimethoxy-4-methyl-5-phenylpent-4-enoate
PubChem CID15405998
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl (E)-2,2-dimethoxy-4-methyl-5-phenylpent-4-enoate
SMILESCOC(=O)C(C/C(C)=C/c1ccccc1)(OC)OC
InChIInChI=1S/C15H20O4/c1-12(10-13-8-6-5-7-9-13)11-15(18-3,19-4)14(16)17-2/h5-10H,11H2,1-4H3/b12-10+
InChIKeyXPACSNDZUKNYNB-ZRDIBKRKSA-N
XLogP2.64
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl (E)-2,2-dimethoxy-4-methyl-5-phenylpent-4-enoate with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-4-phenylbut-3-enamide
CID 23660
(2-methyl-3-phenylprop-2-enyl) acetate
CID 3085847
5-methyl-6-phenylhex-5-en-3-one
CID 71411119
(Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one
CID 10376576
methyl (Z)-3-phenyl-2-(sulfanylmethyl)prop-2-enoate
CID 42598055
2-methoxy-3-phenylprop-2-enoic acid
CID 7021154
N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine
CID 72556558
2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide
CID 69252913
[(E)-3-bromo-2-methylprop-1-enyl]benzene
CID 10910824
europium;tris(2-methoxy-3-phenylprop-2-enoic acid)
CID 169448208
CID 159805914
CID 159805914
2-methyl-1-phenyloct-1-en-4-one
CID 71411118

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2,2-dimethoxy-4-methyl-5-phenylpent-4-enoate?
The IUPAC name of methyl (E)-2,2-dimethoxy-4-methyl-5-phenylpent-4-enoate (CID 15405998) is methyl (E)-2,2-dimethoxy-4-methyl-5-phenylpent-4-enoate.
What is the SMILES notation for methyl (E)-2,2-dimethoxy-4-methyl-5-phenylpent-4-enoate?
The canonical SMILES for methyl (E)-2,2-dimethoxy-4-methyl-5-phenylpent-4-enoate is COC(=O)C(C/C(C)=C/c1ccccc1)(OC)OC.
What is the InChIKey of methyl (E)-2,2-dimethoxy-4-methyl-5-phenylpent-4-enoate?
The InChIKey is XPACSNDZUKNYNB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H20O4/c1-12(10-13-8-6-5-7-9-13)11-15(18-3,19-4)14(16)17-2/h5-10H,11H2,1-4H3/b12-10+.
What are the key properties of methyl (E)-2,2-dimethoxy-4-methyl-5-phenylpent-4-enoate?
methyl (E)-2,2-dimethoxy-4-methyl-5-phenylpent-4-enoate has a molecular weight of 264.32 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2,2-dimethoxy-4-methyl-5-phenylpent-4-enoate is sourced from PubChem (CID 15405998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).