5-methoxy-6-[(1R)-1-methoxyethyl]-3,4-dimethyl-2H-pyran

C11H18O3 — CID 163874552

IUPAC5-methoxy-6-[(1R)-1-methoxyethyl]-3,4-dimethyl-2H-pyran
SMILESCOC1=C([C@@H](C)OC)OCC(C)=C1C
InChIInChI=1S/C11H18O3/c1-7-6-14-11(9(3)12-4)10(13-5)8(7)2/h9H,6H2,1-5H3/t9-/m1/s1
InChIKeyPNSWEERZLBKCGH-SECBINFHSA-N
MW198.26 g/mol
LogP2.25
Rot. Bonds3

About 5-methoxy-6-[(1R)-1-methoxyethyl]-3,4-dimethyl-2H-pyran

5-methoxy-6-[(1R)-1-methoxyethyl]-3,4-dimethyl-2H-pyran (PubChem CID 163874552) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 5-methoxy-6-[(1R)-1-methoxyethyl]-3,4-dimethyl-2H-pyran.

Molecular Properties

Compound Name5-methoxy-6-[(1R)-1-methoxyethyl]-3,4-dimethyl-2H-pyran
PubChem CID163874552
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name5-methoxy-6-[(1R)-1-methoxyethyl]-3,4-dimethyl-2H-pyran
SMILESCOC1=C([C@@H](C)OC)OCC(C)=C1C
InChIInChI=1S/C11H18O3/c1-7-6-14-11(9(3)12-4)10(13-5)8(7)2/h9H,6H2,1-5H3/t9-/m1/s1
InChIKeyPNSWEERZLBKCGH-SECBINFHSA-N
XLogP2.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1E)-1-ethoxy-2-methylbuta-1,3-dienyl]-3,4-dihydro-2H-pyran
CID 11321491
2,3-Diethoxycyclohexa-1,3-diene
CID 17775571
2-Methoxy-3-propan-2-yloxycyclohexa-1,3-diene
CID 19896952
1,2,3-Triethoxy-4-ethylcyclohexa-1,3-diene
CID 20035745
4,6-diethyl-3,5-dimethyl-2H-pyran
CID 23053441
3,4,5-trimethoxy-2-methyl-2H-pyran
CID 53816407
Bromozinc(1+);2-(2-butoxyethoxy)-1,4-dimethylbenzene-5-ide
CID 57775686
13,16-Dimethyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12-diene
CID 58883946
3,4,5,6-tetramethyl-2H-pyran
CID 59449832
(2E)-2-[(Z)-2-methylbut-2-enylidene]-3-methylidene-1,4-dioxane
CID 88254535
2,3,4,5,6-pentamethyl-2H-pyran
CID 89042210
1-Methyl-2,3-bis(prop-2-enoxy)cyclohexa-1,3-diene
CID 89084243

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-[(1R)-1-methoxyethyl]-3,4-dimethyl-2H-pyran?
The IUPAC name of 5-methoxy-6-[(1R)-1-methoxyethyl]-3,4-dimethyl-2H-pyran (CID 163874552) is 5-methoxy-6-[(1R)-1-methoxyethyl]-3,4-dimethyl-2H-pyran.
What is the SMILES notation for 5-methoxy-6-[(1R)-1-methoxyethyl]-3,4-dimethyl-2H-pyran?
The canonical SMILES for 5-methoxy-6-[(1R)-1-methoxyethyl]-3,4-dimethyl-2H-pyran is COC1=C([C@@H](C)OC)OCC(C)=C1C.
What is the InChIKey of 5-methoxy-6-[(1R)-1-methoxyethyl]-3,4-dimethyl-2H-pyran?
The InChIKey is PNSWEERZLBKCGH-SECBINFHSA-N. The full InChI is InChI=1S/C11H18O3/c1-7-6-14-11(9(3)12-4)10(13-5)8(7)2/h9H,6H2,1-5H3/t9-/m1/s1.
What are the key properties of 5-methoxy-6-[(1R)-1-methoxyethyl]-3,4-dimethyl-2H-pyran?
5-methoxy-6-[(1R)-1-methoxyethyl]-3,4-dimethyl-2H-pyran has a molecular weight of 198.26 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-[(1R)-1-methoxyethyl]-3,4-dimethyl-2H-pyran is sourced from PubChem (CID 163874552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).