2,6-dimethoxy-3,6-dihydro-2H-pyran

C7H12O3 — CID 15635083

IUPAC2,6-dimethoxy-3,6-dihydro-2H-pyran
SMILESCOC1C=CCC(OC)O1
InChIInChI=1S/C7H12O3/c1-8-6-4-3-5-7(9-2)10-6/h3-4,6-7H,5H2,1-2H3
InChIKeyMHNSISYAKCNWLA-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.91
Rot. Bonds2

About 2,6-dimethoxy-3,6-dihydro-2H-pyran

2,6-dimethoxy-3,6-dihydro-2H-pyran (PubChem CID 15635083) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2,6-dimethoxy-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2,6-dimethoxy-3,6-dihydro-2H-pyran
PubChem CID15635083
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2,6-dimethoxy-3,6-dihydro-2H-pyran
SMILESCOC1C=CCC(OC)O1
InChIInChI=1S/C7H12O3/c1-8-6-4-3-5-7(9-2)10-6/h3-4,6-7H,5H2,1-2H3
InChIKeyMHNSISYAKCNWLA-UHFFFAOYSA-N
XLogP0.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1-Diethoxy-2,6-nonadiene, (2E,6Z)-
CID 6364671
2-Hexenal diethyl acetal, (2E)-
CID 5365137
1,1-Diethoxyhex-2-ene
CID 93366
1,1-Diethoxynona-2,6-diene
CID 105533
1,1-Diethoxy-2,6-nonadiene, (2Z,6Z)-
CID 20838796
Furan, 2,5-dihydro-2,5-dimethoxy-2-methyl-
CID 90772
2,6-Nonadienal diethyl acetal
CID 6437114
4-(Benzaldehyde diethylacetal)magnesium bromide
CID 12882175
5,6-Dihydro-2-methoxy-2H-pyran
CID 557737
6-ethoxy-3,6-dihydro-2H-pyran
CID 359256
(2Z)-1-(1-Ethoxyethoxy)-2-hexene
CID 20841373
(Z)-1,1-diethoxyhex-2-ene
CID 13140510

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-3,6-dihydro-2H-pyran?
The IUPAC name of 2,6-dimethoxy-3,6-dihydro-2H-pyran (CID 15635083) is 2,6-dimethoxy-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2,6-dimethoxy-3,6-dihydro-2H-pyran?
The canonical SMILES for 2,6-dimethoxy-3,6-dihydro-2H-pyran is COC1C=CCC(OC)O1.
What is the InChIKey of 2,6-dimethoxy-3,6-dihydro-2H-pyran?
The InChIKey is MHNSISYAKCNWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-8-6-4-3-5-7(9-2)10-6/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2,6-dimethoxy-3,6-dihydro-2H-pyran?
2,6-dimethoxy-3,6-dihydro-2H-pyran has a molecular weight of 144.17 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-3,6-dihydro-2H-pyran is sourced from PubChem (CID 15635083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).