2-ethyl-3,6,6-trimethyl-2,5-dihydropyran

C10H18O — CID 137392646

IUPAC2-ethyl-3,6,6-trimethyl-2,5-dihydropyran
SMILESCCC1OC(C)(C)CC=C1C
InChIInChI=1S/C10H18O/c1-5-9-8(2)6-7-10(3,4)11-9/h6,9H,5,7H2,1-4H3
InChIKeyWCHKKKWBNKWZQF-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds1

About 2-ethyl-3,6,6-trimethyl-2,5-dihydropyran

2-ethyl-3,6,6-trimethyl-2,5-dihydropyran (PubChem CID 137392646) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-ethyl-3,6,6-trimethyl-2,5-dihydropyran.

Molecular Properties

Compound Name2-ethyl-3,6,6-trimethyl-2,5-dihydropyran
PubChem CID137392646
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-ethyl-3,6,6-trimethyl-2,5-dihydropyran
SMILESCCC1OC(C)(C)CC=C1C
InChIInChI=1S/C10H18O/c1-5-9-8(2)6-7-10(3,4)11-9/h6,9H,5,7H2,1-4H3
InChIKeyWCHKKKWBNKWZQF-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.91
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 2-ethyl-3,6,6-trimethyl-2,5-dihydropyran?
The IUPAC name of 2-ethyl-3,6,6-trimethyl-2,5-dihydropyran (CID 137392646) is 2-ethyl-3,6,6-trimethyl-2,5-dihydropyran.
What is the SMILES notation for 2-ethyl-3,6,6-trimethyl-2,5-dihydropyran?
The canonical SMILES for 2-ethyl-3,6,6-trimethyl-2,5-dihydropyran is CCC1OC(C)(C)CC=C1C.
What is the InChIKey of 2-ethyl-3,6,6-trimethyl-2,5-dihydropyran?
The InChIKey is WCHKKKWBNKWZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-9-8(2)6-7-10(3,4)11-9/h6,9H,5,7H2,1-4H3.
What are the key properties of 2-ethyl-3,6,6-trimethyl-2,5-dihydropyran?
2-ethyl-3,6,6-trimethyl-2,5-dihydropyran has a molecular weight of 154.25 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,6,6-trimethyl-2,5-dihydropyran is sourced from PubChem (CID 137392646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).