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

C8H14O — CID 14227156

IUPAC5,6,6-trimethyl-2,3-dihydropyran
SMILESCC1=CCCOC1(C)C
InChIInChI=1S/C8H14O/c1-7-5-4-6-9-8(7,2)3/h5H,4,6H2,1-3H3
InChIKeyYDGXBCZKKDJJAR-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds

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

5,6,6-trimethyl-2,3-dihydropyran (PubChem CID 14227156) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 5,6,6-trimethyl-2,3-dihydropyran.

Molecular Properties

Compound Name5,6,6-trimethyl-2,3-dihydropyran
PubChem CID14227156
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name5,6,6-trimethyl-2,3-dihydropyran
SMILESCC1=CCCOC1(C)C
InChIInChI=1S/C8H14O/c1-7-5-4-6-9-8(7,2)3/h5H,4,6H2,1-3H3
InChIKeyYDGXBCZKKDJJAR-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
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 5,6,6-trimethyl-2,3-dihydropyran?
The IUPAC name of 5,6,6-trimethyl-2,3-dihydropyran (CID 14227156) is 5,6,6-trimethyl-2,3-dihydropyran.
What is the SMILES notation for 5,6,6-trimethyl-2,3-dihydropyran?
The canonical SMILES for 5,6,6-trimethyl-2,3-dihydropyran is CC1=CCCOC1(C)C.
What is the InChIKey of 5,6,6-trimethyl-2,3-dihydropyran?
The InChIKey is YDGXBCZKKDJJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7-5-4-6-9-8(7,2)3/h5H,4,6H2,1-3H3.
What are the key properties of 5,6,6-trimethyl-2,3-dihydropyran?
5,6,6-trimethyl-2,3-dihydropyran has a molecular weight of 126.20 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,6-trimethyl-2,3-dihydropyran is sourced from PubChem (CID 14227156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).