ethyl 4-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate

C9H14O4 — CID 13468644

IUPACethyl 4-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCCOC(=O)C1=C(C)OCCC1O
InChIInChI=1S/C9H14O4/c1-3-12-9(11)8-6(2)13-5-4-7(8)10/h7,10H,3-5H2,1-2H3
InChIKeyMSOWFURCXYERDZ-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.60
Rot. Bonds2

About ethyl 4-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate

ethyl 4-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate (PubChem CID 13468644) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is ethyl 4-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
PubChem CID13468644
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Nameethyl 4-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCCOC(=O)C1=C(C)OCCC1O
InChIInChI=1S/C9H14O4/c1-3-12-9(11)8-6(2)13-5-4-7(8)10/h7,10H,3-5H2,1-2H3
InChIKeyMSOWFURCXYERDZ-UHFFFAOYSA-N
XLogP0.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-Dihydro-6-methyl-2H-pyran-5-carboxylic acid
CID 79390
6-ethyl-3,4-dihydro-2H-pyran-5-carboxylic acid
CID 75524989
4-Carboxymethyl-2,3-dimethylbut-2-en-1,4
CID 85713729
Xylaripyone B
CID 170989633
Methyl 3-hydroxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
CID 11053001
Ethyl 5-hydroxy-2-methyl-5,6-dihydro-4H-pyran-3-carboxylate
CID 11367433
3-[(1R)-1-Hydroxypropyl]-4-methylfuran-2(5H)-one
CID 45083191
3-[(1s)-1-Hydroxypropyl]-4-methylfuran-2(5h)-one
CID 45083192
3-Hydroxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoic acid
CID 11275664
2-(3,4-dimethyl-5-oxo-2H-uran-2-yl)acetic acid
CID 130841450
methyl (3R)-3-hydroxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
CID 10059082
(3R)-3-hydroxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoic acid
CID 10352743

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate?
The IUPAC name of ethyl 4-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate (CID 13468644) is ethyl 4-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate is CCOC(=O)C1=C(C)OCCC1O.
What is the InChIKey of ethyl 4-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate?
The InChIKey is MSOWFURCXYERDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-3-12-9(11)8-6(2)13-5-4-7(8)10/h7,10H,3-5H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate?
ethyl 4-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate has a molecular weight of 186.21 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate is sourced from PubChem (CID 13468644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).