(6Z)-6-(2-ethoxy-2-methylpropylidene)-3-hydroxy-2,3-dihydropyran-4-carboxylic acid

C12H18O5 — CID 53248678

IUPAC(6Z)-6-(2-ethoxy-2-methylpropylidene)-3-hydroxy-2,3-dihydropyran-4-carboxylic acid
SMILESCCOC(C)(C)/C=C1/C=C(C(=O)O)C(O)CO1
InChIInChI=1S/C12H18O5/c1-4-17-12(2,3)6-8-5-9(11(14)15)10(13)7-16-8/h5-6,10,13H,4,7H2,1-3H3,(H,14,15)/b8-6-
InChIKeyPWEDVXZMKARZSX-VURMDHGXSA-N
MW242.27 g/mol
LogP1.09
Rot. Bonds4

About (6Z)-6-(2-ethoxy-2-methylpropylidene)-3-hydroxy-2,3-dihydropyran-4-carboxylic acid

(6Z)-6-(2-ethoxy-2-methylpropylidene)-3-hydroxy-2,3-dihydropyran-4-carboxylic acid (PubChem CID 53248678) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is (6Z)-6-(2-ethoxy-2-methylpropylidene)-3-hydroxy-2,3-dihydropyran-4-carboxylic acid.

Molecular Properties

Compound Name(6Z)-6-(2-ethoxy-2-methylpropylidene)-3-hydroxy-2,3-dihydropyran-4-carboxylic acid
PubChem CID53248678
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name(6Z)-6-(2-ethoxy-2-methylpropylidene)-3-hydroxy-2,3-dihydropyran-4-carboxylic acid
SMILESCCOC(C)(C)/C=C1/C=C(C(=O)O)C(O)CO1
InChIInChI=1S/C12H18O5/c1-4-17-12(2,3)6-8-5-9(11(14)15)10(13)7-16-8/h5-6,10,13H,4,7H2,1-3H3,(H,14,15)/b8-6-
InChIKeyPWEDVXZMKARZSX-VURMDHGXSA-N
XLogP1.09
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(2-ethoxy-2-methylpropylidene)-3-hydroxy-2,3-dihydropyran-4-carboxylic acid?
The IUPAC name of (6Z)-6-(2-ethoxy-2-methylpropylidene)-3-hydroxy-2,3-dihydropyran-4-carboxylic acid (CID 53248678) is (6Z)-6-(2-ethoxy-2-methylpropylidene)-3-hydroxy-2,3-dihydropyran-4-carboxylic acid.
What is the SMILES notation for (6Z)-6-(2-ethoxy-2-methylpropylidene)-3-hydroxy-2,3-dihydropyran-4-carboxylic acid?
The canonical SMILES for (6Z)-6-(2-ethoxy-2-methylpropylidene)-3-hydroxy-2,3-dihydropyran-4-carboxylic acid is CCOC(C)(C)/C=C1/C=C(C(=O)O)C(O)CO1.
What is the InChIKey of (6Z)-6-(2-ethoxy-2-methylpropylidene)-3-hydroxy-2,3-dihydropyran-4-carboxylic acid?
The InChIKey is PWEDVXZMKARZSX-VURMDHGXSA-N. The full InChI is InChI=1S/C12H18O5/c1-4-17-12(2,3)6-8-5-9(11(14)15)10(13)7-16-8/h5-6,10,13H,4,7H2,1-3H3,(H,14,15)/b8-6-.
What are the key properties of (6Z)-6-(2-ethoxy-2-methylpropylidene)-3-hydroxy-2,3-dihydropyran-4-carboxylic acid?
(6Z)-6-(2-ethoxy-2-methylpropylidene)-3-hydroxy-2,3-dihydropyran-4-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(2-ethoxy-2-methylpropylidene)-3-hydroxy-2,3-dihydropyran-4-carboxylic acid is sourced from PubChem (CID 53248678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).