ethyl 2,5,8-trimethyl-3,4-dihydrochromene-2-carboxylate

C15H20O3 — CID 102113586

IUPACethyl 2,5,8-trimethyl-3,4-dihydrochromene-2-carboxylate
SMILESCCOC(=O)C1(C)CCc2c(C)ccc(C)c2O1
InChIInChI=1S/C15H20O3/c1-5-17-14(16)15(4)9-8-12-10(2)6-7-11(3)13(12)18-15/h6-7H,5,8-9H2,1-4H3
InChIKeyYAGWHMVPCXYRKZ-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.95
Rot. Bonds2

About ethyl 2,5,8-trimethyl-3,4-dihydrochromene-2-carboxylate

ethyl 2,5,8-trimethyl-3,4-dihydrochromene-2-carboxylate (PubChem CID 102113586) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is ethyl 2,5,8-trimethyl-3,4-dihydrochromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2,5,8-trimethyl-3,4-dihydrochromene-2-carboxylate
PubChem CID102113586
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nameethyl 2,5,8-trimethyl-3,4-dihydrochromene-2-carboxylate
SMILESCCOC(=O)C1(C)CCc2c(C)ccc(C)c2O1
InChIInChI=1S/C15H20O3/c1-5-17-14(16)15(4)9-8-12-10(2)6-7-11(3)13(12)18-15/h6-7H,5,8-9H2,1-4H3
InChIKeyYAGWHMVPCXYRKZ-UHFFFAOYSA-N
XLogP2.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
CID 140947917
ethyl 6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
CID 11660620
2-(4-hydroxyphenyl)ethyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
CID 139593914
methyl 6-benzoyloxy-2,5,8-trimethyl-3,4-dihydrochromene-2-carboxylate
CID 23624577
methyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate;2-methylpropyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
CID 158142227
ethyl [2,5,7,8-tetramethyl-2-(phenylcarbamoyl)-3,4-dihydrochromen-6-yl] carbonate
CID 19024073
ethyl 2,2,7-trimethyl-1,3-benzodioxole-4-carboxylate
CID 90181228
methyl 2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromene-2-carboxylate
CID 10570125
N-[2-(2-hydroxyethoxy)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 91302807
diethyl 4,8-dihydroxy-3,9-dimethyl-2,10-dioxatetracyclo[6.5.2.04,14.011,15]pentadeca-1(14),11(15),12-triene-3,9-dicarboxylate
CID 14687004
ethyl 2-amino-4-fluoro-7-methyl-1,3-dihydroindene-2-carboxylate
CID 91348519
6-hydroxy-2,8-dimethyl-3,4-dihydrochromene-2-carboxylic acid
CID 138473069

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5,8-trimethyl-3,4-dihydrochromene-2-carboxylate?
The IUPAC name of ethyl 2,5,8-trimethyl-3,4-dihydrochromene-2-carboxylate (CID 102113586) is ethyl 2,5,8-trimethyl-3,4-dihydrochromene-2-carboxylate.
What is the SMILES notation for ethyl 2,5,8-trimethyl-3,4-dihydrochromene-2-carboxylate?
The canonical SMILES for ethyl 2,5,8-trimethyl-3,4-dihydrochromene-2-carboxylate is CCOC(=O)C1(C)CCc2c(C)ccc(C)c2O1.
What is the InChIKey of ethyl 2,5,8-trimethyl-3,4-dihydrochromene-2-carboxylate?
The InChIKey is YAGWHMVPCXYRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-5-17-14(16)15(4)9-8-12-10(2)6-7-11(3)13(12)18-15/h6-7H,5,8-9H2,1-4H3.
What are the key properties of ethyl 2,5,8-trimethyl-3,4-dihydrochromene-2-carboxylate?
ethyl 2,5,8-trimethyl-3,4-dihydrochromene-2-carboxylate has a molecular weight of 248.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5,8-trimethyl-3,4-dihydrochromene-2-carboxylate is sourced from PubChem (CID 102113586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).