ethyl 6-methyl-2-methylidene-3,4-dihydropyran-5-carboxylate

C10H14O3 — CID 15175277

IUPACethyl 6-methyl-2-methylidene-3,4-dihydropyran-5-carboxylate
SMILESC=C1CCC(C(=O)OCC)=C(C)O1
InChIInChI=1S/C10H14O3/c1-4-12-10(11)9-6-5-7(2)13-8(9)3/h2,4-6H2,1,3H3
InChIKeyZDAZBEHAIOYSPW-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.15
Rot. Bonds2

About ethyl 6-methyl-2-methylidene-3,4-dihydropyran-5-carboxylate

ethyl 6-methyl-2-methylidene-3,4-dihydropyran-5-carboxylate (PubChem CID 15175277) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl 6-methyl-2-methylidene-3,4-dihydropyran-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-methylidene-3,4-dihydropyran-5-carboxylate
PubChem CID15175277
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Nameethyl 6-methyl-2-methylidene-3,4-dihydropyran-5-carboxylate
SMILESC=C1CCC(C(=O)OCC)=C(C)O1
InChIInChI=1S/C10H14O3/c1-4-12-10(11)9-6-5-7(2)13-8(9)3/h2,4-6H2,1,3H3
InChIKeyZDAZBEHAIOYSPW-UHFFFAOYSA-N
XLogP2.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 3,4-dihydro-6-methyl-2H-pyran-5-carboxylate
CID 82467
Dimethyl 2,6-dimethyl-4-oxopyran-3,5-dicarboxylate
CID 957562
Mls000737884
CID 222209
6-ethyl-3,4-dihydro-2H-pyran-5-carboxylic acid
CID 75524989
Ethyl 2,3-dihydro-4-ethoxy-2,2,6-trimethylbenzoate
CID 5043437
2,6-Dimethyl-3-carbethoxy-4,5-dihydropyran
CID 21679897
5-ethoxycarbonyl-3,4-dihydro-6-methyl-2H-pyran-2-one
CID 11106016
Methyl 3,4-dihydro-6-methyl-2H-pyran-5-carboxylate
CID 14089449
Ethyl 4,6-dimethyl-2-oxo-3,4-dihydro-2h-pyran-5-carboxylate
CID 223384
diethyl 2,4,6-trimethyl-4H-pyran-3,5-dicarboxylate
CID 19086098
Ethyl 6-methyl-4-oxo-2,3-dihydropyran-5-carboxylate
CID 12291204
2-[6-Oxo-tetrahydro-pyran-(2e)-ylidene]-propionic acid ethyl ester
CID 13047924

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-methylidene-3,4-dihydropyran-5-carboxylate?
The IUPAC name of ethyl 6-methyl-2-methylidene-3,4-dihydropyran-5-carboxylate (CID 15175277) is ethyl 6-methyl-2-methylidene-3,4-dihydropyran-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-methylidene-3,4-dihydropyran-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-methylidene-3,4-dihydropyran-5-carboxylate is C=C1CCC(C(=O)OCC)=C(C)O1.
What is the InChIKey of ethyl 6-methyl-2-methylidene-3,4-dihydropyran-5-carboxylate?
The InChIKey is ZDAZBEHAIOYSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-12-10(11)9-6-5-7(2)13-8(9)3/h2,4-6H2,1,3H3.
What are the key properties of ethyl 6-methyl-2-methylidene-3,4-dihydropyran-5-carboxylate?
ethyl 6-methyl-2-methylidene-3,4-dihydropyran-5-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-methylidene-3,4-dihydropyran-5-carboxylate is sourced from PubChem (CID 15175277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).