methyl 2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromene-2-carboxylate

C18H24O4 — CID 14329710

IUPACmethyl 2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromene-2-carboxylate
SMILESC=CCOc1c(C)c(C)c2c(c1C)CCC(C)(C(=O)OC)O2
InChIInChI=1S/C18H24O4/c1-7-10-21-15-11(2)12(3)16-14(13(15)4)8-9-18(5,22-16)17(19)20-6/h7H,1,8-10H2,2-6H3
InChIKeyULZKNAGEPXJYMI-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.43
Rot. Bonds4

About methyl 2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromene-2-carboxylate

methyl 2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromene-2-carboxylate (PubChem CID 14329710) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromene-2-carboxylate.

Molecular Properties

Compound Namemethyl 2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromene-2-carboxylate
PubChem CID14329710
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Namemethyl 2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromene-2-carboxylate
SMILESC=CCOc1c(C)c(C)c2c(c1C)CCC(C)(C(=O)OC)O2
InChIInChI=1S/C18H24O4/c1-7-10-21-15-11(2)12(3)16-14(13(15)4)8-9-18(5,22-16)17(19)20-6/h7H,1,8-10H2,2-6H3
InChIKeyULZKNAGEPXJYMI-UHFFFAOYSA-N
XLogP3.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromene-2-carboxylate 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 2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromene-2-carboxylate?
The IUPAC name of methyl 2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromene-2-carboxylate (CID 14329710) is methyl 2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromene-2-carboxylate.
What is the SMILES notation for methyl 2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromene-2-carboxylate?
The canonical SMILES for methyl 2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromene-2-carboxylate is C=CCOc1c(C)c(C)c2c(c1C)CCC(C)(C(=O)OC)O2.
What is the InChIKey of methyl 2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromene-2-carboxylate?
The InChIKey is ULZKNAGEPXJYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-7-10-21-15-11(2)12(3)16-14(13(15)4)8-9-18(5,22-16)17(19)20-6/h7H,1,8-10H2,2-6H3.
What are the key properties of methyl 2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromene-2-carboxylate?
methyl 2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromene-2-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromene-2-carboxylate is sourced from PubChem (CID 14329710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).