2-hydroxyethyl 5-methoxy-2-methyl-3,4-dihydropyran-2-carboxylate

C10H16O5 — CID 23286545

IUPAC2-hydroxyethyl 5-methoxy-2-methyl-3,4-dihydropyran-2-carboxylate
SMILESCOC1=COC(C)(C(=O)OCCO)CC1
InChIInChI=1S/C10H16O5/c1-10(9(12)14-6-5-11)4-3-8(13-2)7-15-10/h7,11H,3-6H2,1-2H3
InChIKeyZSCBYFNAVRRZSJ-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.58
Rot. Bonds4

About 2-hydroxyethyl 5-methoxy-2-methyl-3,4-dihydropyran-2-carboxylate

2-hydroxyethyl 5-methoxy-2-methyl-3,4-dihydropyran-2-carboxylate (PubChem CID 23286545) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-hydroxyethyl 5-methoxy-2-methyl-3,4-dihydropyran-2-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 5-methoxy-2-methyl-3,4-dihydropyran-2-carboxylate
PubChem CID23286545
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name2-hydroxyethyl 5-methoxy-2-methyl-3,4-dihydropyran-2-carboxylate
SMILESCOC1=COC(C)(C(=O)OCCO)CC1
InChIInChI=1S/C10H16O5/c1-10(9(12)14-6-5-11)4-3-8(13-2)7-15-10/h7,11H,3-6H2,1-2H3
InChIKeyZSCBYFNAVRRZSJ-UHFFFAOYSA-N
XLogP0.58
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 5-methoxy-2-methyl-3,4-dihydropyran-2-carboxylate?
The IUPAC name of 2-hydroxyethyl 5-methoxy-2-methyl-3,4-dihydropyran-2-carboxylate (CID 23286545) is 2-hydroxyethyl 5-methoxy-2-methyl-3,4-dihydropyran-2-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 5-methoxy-2-methyl-3,4-dihydropyran-2-carboxylate?
The canonical SMILES for 2-hydroxyethyl 5-methoxy-2-methyl-3,4-dihydropyran-2-carboxylate is COC1=COC(C)(C(=O)OCCO)CC1.
What is the InChIKey of 2-hydroxyethyl 5-methoxy-2-methyl-3,4-dihydropyran-2-carboxylate?
The InChIKey is ZSCBYFNAVRRZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-10(9(12)14-6-5-11)4-3-8(13-2)7-15-10/h7,11H,3-6H2,1-2H3.
What are the key properties of 2-hydroxyethyl 5-methoxy-2-methyl-3,4-dihydropyran-2-carboxylate?
2-hydroxyethyl 5-methoxy-2-methyl-3,4-dihydropyran-2-carboxylate has a molecular weight of 216.23 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 5-methoxy-2-methyl-3,4-dihydropyran-2-carboxylate is sourced from PubChem (CID 23286545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).