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

C9H16O — CID 22082043

IUPAC2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran
SMILESCCC1OC=CC(C)C1C
InChIInChI=1S/C9H16O/c1-4-9-8(3)7(2)5-6-10-9/h5-9H,4H2,1-3H3
InChIKeyPSAAZYPFGIMEMJ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.58
Rot. Bonds1

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

2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran (PubChem CID 22082043) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran
PubChem CID22082043
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran
SMILESCCC1OC=CC(C)C1C
InChIInChI=1S/C9H16O/c1-4-9-8(3)7(2)5-6-10-9/h5-9H,4H2,1-3H3
InChIKeyPSAAZYPFGIMEMJ-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.58
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
(4R)-5-fluoro-6-methoxy-4,5-dimethylhept-1-ene
CID 159682763
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
1-Methoxy-3,6-dimethyl-1,7-octadiene
CID 129802357
(2S,3S,4S)-2,3,4-trimethyl-3,4-dihydro-2H-pyran
CID 134833489

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of 2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran (CID 22082043) is 2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran is CCC1OC=CC(C)C1C.
What is the InChIKey of 2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran?
The InChIKey is PSAAZYPFGIMEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-9-8(3)7(2)5-6-10-9/h5-9H,4H2,1-3H3.
What are the key properties of 2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran?
2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran has a molecular weight of 140.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 22082043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).