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

C7H12O — CID 20692458

IUPAC2-ethyl-3,6-dihydro-2H-pyran
SMILESCCC1CC=CCO1
InChIInChI=1S/C7H12O/c1-2-7-5-3-4-6-8-7/h3-4,7H,2,5-6H2,1H3
InChIKeyWUYCVXMNOAUNDV-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.74
Rot. Bonds1

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

2-ethyl-3,6-dihydro-2H-pyran (PubChem CID 20692458) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-ethyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-ethyl-3,6-dihydro-2H-pyran
PubChem CID20692458
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-ethyl-3,6-dihydro-2H-pyran
SMILESCCC1CC=CCO1
InChIInChI=1S/C7H12O/c1-2-7-5-3-4-6-8-7/h3-4,7H,2,5-6H2,1H3
InChIKeyWUYCVXMNOAUNDV-UHFFFAOYSA-N
XLogP1.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4,7-dihydro-1,3-dioxepine
CID 11029866
(2S)-2-(methoxymethoxymethyl)-3,6-dihydro-2H-pyran
CID 11977011
(2S)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 46862703
(2R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 130750045
tetrakis(2-ethyloxirane);methane
CID 162010408
2,5,5a,6,8,8a-hexahydrooxepino[2,3-c]pyrrol-7-id-8-ylmethanol;ethane;rhenium
CID 178169061
4-ethyl-1,3-dioxolane;methane
CID 158064342
(2S)-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
CID 101491017
dimethylsilane;2-ethyloxirane
CID 175208147
butyl (2R)-3,6-dihydro-2H-pyran-2-carboxylate
CID 71441286
6-ethyl-1,3,5-trioxepane
CID 139790395
tert-butyl 4-[[(2S)-3,6-dihydro-2H-pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 66895101

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,6-dihydro-2H-pyran?
The IUPAC name of 2-ethyl-3,6-dihydro-2H-pyran (CID 20692458) is 2-ethyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-ethyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-ethyl-3,6-dihydro-2H-pyran is CCC1CC=CCO1.
What is the InChIKey of 2-ethyl-3,6-dihydro-2H-pyran?
The InChIKey is WUYCVXMNOAUNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-2-7-5-3-4-6-8-7/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 2-ethyl-3,6-dihydro-2H-pyran?
2-ethyl-3,6-dihydro-2H-pyran has a molecular weight of 112.17 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 20692458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).