methyl 2-methyl-3-(2,2,5-triethyl-1,3-dioxan-5-yl)prop-2-enoate

C15H26O4 — CID 164898703

IUPACmethyl 2-methyl-3-(2,2,5-triethyl-1,3-dioxan-5-yl)prop-2-enoate
SMILESCCC1(C=C(C)C(=O)OC)COC(CC)(CC)OC1
InChIInChI=1S/C15H26O4/c1-6-14(9-12(4)13(16)17-5)10-18-15(7-2,8-3)19-11-14/h9H,6-8,10-11H2,1-5H3
InChIKeyARZZNDCETVBZTA-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.07
Rot. Bonds5

About methyl 2-methyl-3-(2,2,5-triethyl-1,3-dioxan-5-yl)prop-2-enoate

methyl 2-methyl-3-(2,2,5-triethyl-1,3-dioxan-5-yl)prop-2-enoate (PubChem CID 164898703) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 2-methyl-3-(2,2,5-triethyl-1,3-dioxan-5-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(2,2,5-triethyl-1,3-dioxan-5-yl)prop-2-enoate
PubChem CID164898703
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namemethyl 2-methyl-3-(2,2,5-triethyl-1,3-dioxan-5-yl)prop-2-enoate
SMILESCCC1(C=C(C)C(=O)OC)COC(CC)(CC)OC1
InChIInChI=1S/C15H26O4/c1-6-14(9-12(4)13(16)17-5)10-18-15(7-2,8-3)19-11-14/h9H,6-8,10-11H2,1-5H3
InChIKeyARZZNDCETVBZTA-UHFFFAOYSA-N
XLogP3.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-methyl-3-(2,2,5-triethyl-1,3-dioxan-5-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 methyl 2-methyl-3-(2,2,5-triethyl-1,3-dioxan-5-yl)prop-2-enoate?
The IUPAC name of methyl 2-methyl-3-(2,2,5-triethyl-1,3-dioxan-5-yl)prop-2-enoate (CID 164898703) is methyl 2-methyl-3-(2,2,5-triethyl-1,3-dioxan-5-yl)prop-2-enoate.
What is the SMILES notation for methyl 2-methyl-3-(2,2,5-triethyl-1,3-dioxan-5-yl)prop-2-enoate?
The canonical SMILES for methyl 2-methyl-3-(2,2,5-triethyl-1,3-dioxan-5-yl)prop-2-enoate is CCC1(C=C(C)C(=O)OC)COC(CC)(CC)OC1.
What is the InChIKey of methyl 2-methyl-3-(2,2,5-triethyl-1,3-dioxan-5-yl)prop-2-enoate?
The InChIKey is ARZZNDCETVBZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-6-14(9-12(4)13(16)17-5)10-18-15(7-2,8-3)19-11-14/h9H,6-8,10-11H2,1-5H3.
What are the key properties of methyl 2-methyl-3-(2,2,5-triethyl-1,3-dioxan-5-yl)prop-2-enoate?
methyl 2-methyl-3-(2,2,5-triethyl-1,3-dioxan-5-yl)prop-2-enoate has a molecular weight of 270.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(2,2,5-triethyl-1,3-dioxan-5-yl)prop-2-enoate is sourced from PubChem (CID 164898703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).