6-ethyl-2,6-dimethyl-2,3-dihydropyran

C9H16O — CID 12507029

IUPAC6-ethyl-2,6-dimethyl-2,3-dihydropyran
SMILESCCC1(C)C=CCC(C)O1
InChIInChI=1S/C9H16O/c1-4-9(3)7-5-6-8(2)10-9/h5,7-8H,4,6H2,1-3H3
InChIKeySEAHVPXTBCYLDR-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds1

About 6-ethyl-2,6-dimethyl-2,3-dihydropyran

6-ethyl-2,6-dimethyl-2,3-dihydropyran (PubChem CID 12507029) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 6-ethyl-2,6-dimethyl-2,3-dihydropyran.

Molecular Properties

Compound Name6-ethyl-2,6-dimethyl-2,3-dihydropyran
PubChem CID12507029
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name6-ethyl-2,6-dimethyl-2,3-dihydropyran
SMILESCCC1(C)C=CCC(C)O1
InChIInChI=1S/C9H16O/c1-4-9(3)7-5-6-8(2)10-9/h5,7-8H,4,6H2,1-3H3
InChIKeySEAHVPXTBCYLDR-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,6-dimethyl-2,3-dihydropyran?
The IUPAC name of 6-ethyl-2,6-dimethyl-2,3-dihydropyran (CID 12507029) is 6-ethyl-2,6-dimethyl-2,3-dihydropyran.
What is the SMILES notation for 6-ethyl-2,6-dimethyl-2,3-dihydropyran?
The canonical SMILES for 6-ethyl-2,6-dimethyl-2,3-dihydropyran is CCC1(C)C=CCC(C)O1.
What is the InChIKey of 6-ethyl-2,6-dimethyl-2,3-dihydropyran?
The InChIKey is SEAHVPXTBCYLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-9(3)7-5-6-8(2)10-9/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 6-ethyl-2,6-dimethyl-2,3-dihydropyran?
6-ethyl-2,6-dimethyl-2,3-dihydropyran has a molecular weight of 140.23 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,6-dimethyl-2,3-dihydropyran is sourced from PubChem (CID 12507029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).