2,2,6-trimethyl-3,4-dihydropyran

C8H14O — CID 13123172

IUPAC2,2,6-trimethyl-3,4-dihydropyran
SMILESCC1=CCCC(C)(C)O1
InChIInChI=1S/C8H14O/c1-7-5-4-6-8(2,3)9-7/h5H,4,6H2,1-3H3
InChIKeyXOFPNIVQINAROR-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.48
Rot. Bonds

About 2,2,6-trimethyl-3,4-dihydropyran

2,2,6-trimethyl-3,4-dihydropyran (PubChem CID 13123172) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2,2,6-trimethyl-3,4-dihydropyran.

Molecular Properties

Compound Name2,2,6-trimethyl-3,4-dihydropyran
PubChem CID13123172
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2,2,6-trimethyl-3,4-dihydropyran
SMILESCC1=CCCC(C)(C)O1
InChIInChI=1S/C8H14O/c1-7-5-4-6-8(2,3)9-7/h5H,4,6H2,1-3H3
InChIKeyXOFPNIVQINAROR-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2,6-trimethyl-3,4-dihydropyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,6-Trimethyl-4-methylene-3,4-dihydro-2h-pyran
CID 12240310
Ether, tert-butyl 1-cyclohexen-1-yl
CID 566729
1-tert-Butoxy-6-Methylcyclohexene
CID 574418
z-5,5-Dimethyl-2-ethylidenetetrahydrofuran
CID 14367769
5,5-Dimethyl-2-(e)-ethylidenetetrahydrofuran
CID 14367770
(5E)-5-(1-deuterioethylidene)-2,2-dimethyloxolane
CID 135038709
6-(3-methylbutyl)-3,4-dihydro-2H-pyran
CID 135084299
1-tert-Butoxy-3-Methylcyclohexene
CID 566373
2-Methyl-2-pent-2-en-3-yloxypentane
CID 57292041
(E)-3,7-dimethyl-7-prop-1-en-2-yloxynon-3-ene
CID 59751660
2,2,4,6-Tetramethyl-3,4-dihydropyran
CID 70190482
4-Methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene
CID 102332490

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-3,4-dihydropyran?
The IUPAC name of 2,2,6-trimethyl-3,4-dihydropyran (CID 13123172) is 2,2,6-trimethyl-3,4-dihydropyran.
What is the SMILES notation for 2,2,6-trimethyl-3,4-dihydropyran?
The canonical SMILES for 2,2,6-trimethyl-3,4-dihydropyran is CC1=CCCC(C)(C)O1.
What is the InChIKey of 2,2,6-trimethyl-3,4-dihydropyran?
The InChIKey is XOFPNIVQINAROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7-5-4-6-8(2,3)9-7/h5H,4,6H2,1-3H3.
What are the key properties of 2,2,6-trimethyl-3,4-dihydropyran?
2,2,6-trimethyl-3,4-dihydropyran has a molecular weight of 126.20 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-3,4-dihydropyran is sourced from PubChem (CID 13123172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).