2-ethenyl-2,6,6-trimethyl-3H-pyran

C10H16O — CID 71341137

IUPAC2-ethenyl-2,6,6-trimethyl-3H-pyran
SMILESC=CC1(C)CC=CC(C)(C)O1
InChIInChI=1S/C10H16O/c1-5-10(4)8-6-7-9(2,3)11-10/h5-7H,1,8H2,2-4H3
InChIKeyXFDJWESOIHLOCV-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.69
Rot. Bonds1

About 2-ethenyl-2,6,6-trimethyl-3H-pyran

2-ethenyl-2,6,6-trimethyl-3H-pyran (PubChem CID 71341137) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-ethenyl-2,6,6-trimethyl-3H-pyran.

Molecular Properties

Compound Name2-ethenyl-2,6,6-trimethyl-3H-pyran
PubChem CID71341137
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-ethenyl-2,6,6-trimethyl-3H-pyran
SMILESC=CC1(C)CC=CC(C)(C)O1
InChIInChI=1S/C10H16O/c1-5-10(4)8-6-7-9(2,3)11-10/h5-7H,1,8H2,2-4H3
InChIKeyXFDJWESOIHLOCV-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.69
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-ethenyl-2,6,6-trimethyl-3H-pyran?
The IUPAC name of 2-ethenyl-2,6,6-trimethyl-3H-pyran (CID 71341137) is 2-ethenyl-2,6,6-trimethyl-3H-pyran.
What is the SMILES notation for 2-ethenyl-2,6,6-trimethyl-3H-pyran?
The canonical SMILES for 2-ethenyl-2,6,6-trimethyl-3H-pyran is C=CC1(C)CC=CC(C)(C)O1.
What is the InChIKey of 2-ethenyl-2,6,6-trimethyl-3H-pyran?
The InChIKey is XFDJWESOIHLOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-5-10(4)8-6-7-9(2,3)11-10/h5-7H,1,8H2,2-4H3.
What are the key properties of 2-ethenyl-2,6,6-trimethyl-3H-pyran?
2-ethenyl-2,6,6-trimethyl-3H-pyran has a molecular weight of 152.24 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2,6,6-trimethyl-3H-pyran is sourced from PubChem (CID 71341137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).