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

C7H12O2 — CID 19096536

IUPAC2-ethoxy-3,6-dihydro-2H-pyran
SMILESCCOC1CC=CCO1
InChIInChI=1S/C7H12O2/c1-2-8-7-5-3-4-6-9-7/h3-4,7H,2,5-6H2,1H3
InChIKeyUWXIHCKELUOGDU-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.20
Rot. Bonds2

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

2-ethoxy-3,6-dihydro-2H-pyran (PubChem CID 19096536) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-ethoxy-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-ethoxy-3,6-dihydro-2H-pyran
PubChem CID19096536
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-ethoxy-3,6-dihydro-2H-pyran
SMILESCCOC1CC=CCO1
InChIInChI=1S/C7H12O2/c1-2-8-7-5-3-4-6-9-7/h3-4,7H,2,5-6H2,1H3
InChIKeyUWXIHCKELUOGDU-UHFFFAOYSA-N
XLogP1.20
TPSA18.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity99

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethoxy-3,6-dihydro-2H-pyran?
The IUPAC name of 2-ethoxy-3,6-dihydro-2H-pyran (CID 19096536) is 2-ethoxy-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-ethoxy-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-ethoxy-3,6-dihydro-2H-pyran is CCOC1CC=CCO1.
What is the InChIKey of 2-ethoxy-3,6-dihydro-2H-pyran?
The InChIKey is UWXIHCKELUOGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-8-7-5-3-4-6-9-7/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 2-ethoxy-3,6-dihydro-2H-pyran?
2-ethoxy-3,6-dihydro-2H-pyran has a molecular weight of 128.17 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,6-dihydro-2H-pyran is sourced from PubChem (CID 19096536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).