2-ethyl-3-methyl-3,4-dihydro-2H-pyran

C8H14O — CID 22082046

IUPAC2-ethyl-3-methyl-3,4-dihydro-2H-pyran
SMILESCCC1OC=CCC1C
InChIInChI=1S/C8H14O/c1-3-8-7(2)5-4-6-9-8/h4,6-8H,3,5H2,1-2H3
InChIKeySNESHDOFFYMQSR-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.34
Rot. Bonds1

About 2-ethyl-3-methyl-3,4-dihydro-2H-pyran

2-ethyl-3-methyl-3,4-dihydro-2H-pyran (PubChem CID 22082046) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-ethyl-3-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-ethyl-3-methyl-3,4-dihydro-2H-pyran
PubChem CID22082046
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-ethyl-3-methyl-3,4-dihydro-2H-pyran
SMILESCCC1OC=CCC1C
InChIInChI=1S/C8H14O/c1-3-8-7(2)5-4-6-9-8/h4,6-8H,3,5H2,1-2H3
InChIKeySNESHDOFFYMQSR-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-butyl-4H-pyran
CID 15612482
2-Isobutyl-4-methyldihydropyran
CID 129792224
[(E)-2-methoxyethenyl]cyclohexane
CID 12552145
[(Z)-2-methoxyethenyl]cyclohexane
CID 12552146
2-Methoxyethenylcyclohexane
CID 57065092
4-butan-2-yl-4H-pyran
CID 10725412
[(E)-2-ethoxyethenyl]cyclohexane
CID 13163949
Methylethyldihydropyran
CID 85678063
4-Ethenoxy-6-methylhept-1-ene
CID 101377740
(2S,3S,4S)-2,3,4-trimethyl-3,4-dihydro-2H-pyran
CID 134833489
(E)-1-ethoxy-3-ethylhex-1-ene
CID 134906000
[(2S,4R)-2,4-dimethyl-3,4-dihydro-2H-pyran-6-yl]-trimethylstannane
CID 134979054

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 2-ethyl-3-methyl-3,4-dihydro-2H-pyran (CID 22082046) is 2-ethyl-3-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-ethyl-3-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-ethyl-3-methyl-3,4-dihydro-2H-pyran is CCC1OC=CCC1C.
What is the InChIKey of 2-ethyl-3-methyl-3,4-dihydro-2H-pyran?
The InChIKey is SNESHDOFFYMQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-8-7(2)5-4-6-9-8/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 2-ethyl-3-methyl-3,4-dihydro-2H-pyran?
2-ethyl-3-methyl-3,4-dihydro-2H-pyran has a molecular weight of 126.20 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 22082046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).