6-[3,4-dihydro-2H-pyran-2-yloxy(ethoxy)methyl]-2H-pyran

C13H18O4 — CID 57252083

IUPAC6-[3,4-dihydro-2H-pyran-2-yloxy(ethoxy)methyl]-2H-pyran
SMILESCCOC(OC1CCC=CO1)C1=CC=CCO1
InChIInChI=1S/C13H18O4/c1-2-14-13(11-7-3-5-9-15-11)17-12-8-4-6-10-16-12/h3,5-7,10,12-13H,2,4,8-9H2,1H3
InChIKeyTZMCFMAZHZMDAG-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.49
Rot. Bonds5

About 6-[3,4-dihydro-2H-pyran-2-yloxy(ethoxy)methyl]-2H-pyran

6-[3,4-dihydro-2H-pyran-2-yloxy(ethoxy)methyl]-2H-pyran (PubChem CID 57252083) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 6-[3,4-dihydro-2H-pyran-2-yloxy(ethoxy)methyl]-2H-pyran.

Molecular Properties

Compound Name6-[3,4-dihydro-2H-pyran-2-yloxy(ethoxy)methyl]-2H-pyran
PubChem CID57252083
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name6-[3,4-dihydro-2H-pyran-2-yloxy(ethoxy)methyl]-2H-pyran
SMILESCCOC(OC1CCC=CO1)C1=CC=CCO1
InChIInChI=1S/C13H18O4/c1-2-14-13(11-7-3-5-9-15-11)17-12-8-4-6-10-16-12/h3,5-7,10,12-13H,2,4,8-9H2,1H3
InChIKeyTZMCFMAZHZMDAG-UHFFFAOYSA-N
XLogP2.49
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-fluoro-4-(2-methoxyethoxymethoxy)-5-prop-2-enoxyhepta-1,3-diene
CID 23242478
2,4,6,8,15,18,21-Heptaoxatricyclo[20.4.0.09,14]hexacosa-1(26),10,12,22-tetraene
CID 58675999
(9S)-2,4,6,8,15,18,21-heptaoxatricyclo[20.4.0.09,14]hexacosa-1(26),10,12,22-tetraene
CID 58935153
2,3-di(propan-2-yloxy)-2H-pyran
CID 67849419
2-(1-Cyclohexa-1,5-dien-1-yloxypropoxy)ethyl acetate
CID 68076709
2-butoxy-4-cyclohexa-1,5-dien-1-yl-2H-pyran
CID 69918128
5-[(1S)-2-ethoxy-1-methoxyethoxy]-2-methoxycyclohexa-1,3-diene
CID 89037412
2-(1-Cyclohexa-2,4-dien-1-yloxyethoxy)cyclohexa-1,3-diene
CID 89269304
3-(4H-1,3-dioxin-2-yl)-1,2-dioxine
CID 89515663
3-(2,2-Diethoxyethoxy)hexa-2,4-diene
CID 123633479
2-[(7-Methoxycyclohepta-1,3,6-trien-1-yl)oxymethyl]-1,3-dioxane
CID 129154794
1-(2-Cyclohexa-1,5-dien-1-yloxyethoxy)ethyl formate;methane
CID 142377159

Frequently Asked Questions

What is the IUPAC name of 6-[3,4-dihydro-2H-pyran-2-yloxy(ethoxy)methyl]-2H-pyran?
The IUPAC name of 6-[3,4-dihydro-2H-pyran-2-yloxy(ethoxy)methyl]-2H-pyran (CID 57252083) is 6-[3,4-dihydro-2H-pyran-2-yloxy(ethoxy)methyl]-2H-pyran.
What is the SMILES notation for 6-[3,4-dihydro-2H-pyran-2-yloxy(ethoxy)methyl]-2H-pyran?
The canonical SMILES for 6-[3,4-dihydro-2H-pyran-2-yloxy(ethoxy)methyl]-2H-pyran is CCOC(OC1CCC=CO1)C1=CC=CCO1.
What is the InChIKey of 6-[3,4-dihydro-2H-pyran-2-yloxy(ethoxy)methyl]-2H-pyran?
The InChIKey is TZMCFMAZHZMDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-2-14-13(11-7-3-5-9-15-11)17-12-8-4-6-10-16-12/h3,5-7,10,12-13H,2,4,8-9H2,1H3.
What are the key properties of 6-[3,4-dihydro-2H-pyran-2-yloxy(ethoxy)methyl]-2H-pyran?
6-[3,4-dihydro-2H-pyran-2-yloxy(ethoxy)methyl]-2H-pyran has a molecular weight of 238.28 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,4-dihydro-2H-pyran-2-yloxy(ethoxy)methyl]-2H-pyran is sourced from PubChem (CID 57252083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).