2,6-dimethyl-4H-pyran;ethane

C11H22O — CID 143762964

IUPAC2,6-dimethyl-4H-pyran;ethane
SMILESCC.CC.CC1=CCC=C(C)O1
InChIInChI=1S/C7H10O.2C2H6/c1-6-4-3-5-7(2)8-6;2*1-2/h4-5H,3H2,1-2H3;2*1-2H3
InChIKeyNFXYHNFEQVPHQP-UHFFFAOYSA-N
MW170.30 g/mol
LogP4.27
Rot. Bonds

About 2,6-dimethyl-4H-pyran;ethane

2,6-dimethyl-4H-pyran;ethane (PubChem CID 143762964) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2,6-dimethyl-4H-pyran;ethane.

Molecular Properties

Compound Name2,6-dimethyl-4H-pyran;ethane
PubChem CID143762964
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2,6-dimethyl-4H-pyran;ethane
SMILESCC.CC.CC1=CCC=C(C)O1
InChIInChI=1S/C7H10O.2C2H6/c1-6-4-3-5-7(2)8-6;2*1-2/h4-5H,3H2,1-2H3;2*1-2H3
InChIKeyNFXYHNFEQVPHQP-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,6-dimethyl-4H-pyran;ethane 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-tert-butyl-6-methyl-4H-pyran
CID 141260258
1,2,6-trimethyl-4H-pyridine
CID 118906962
2,6-dimethyl-4H-thiopyran
CID 54402561
5-methyl-3H-furan-2-thione;5-methyl-3H-1,3-oxazole-2-thione
CID 159644894
N-[(6-methyl-4H-pyran-2-yl)methyl]-2-phenylsulfanylacetamide
CID 142934193
2-(2,5-dimethylfuran-3-yl)-6-methyl-4H-1,3-oxazine
CID 102421066
3-(1-hydroxyethylidene)-6-methyl-4H-pyran-2-one
CID 67762758
ethane;1-methylcyclobutene
CID 91484029
2,6-bis(tert-butylsulfanyl)-4H-pyran
CID 173329821
2,3-dimethyl-4,6-dihydro-1H-cyclopenta[b]pyrazine
CID 174070192
2,2-dimethoxy-5-methyl-3H-furan
CID 12570620
2,2-difluoro-5H-cyclopenta[d][1,3]dioxole
CID 118487457

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4H-pyran;ethane?
The IUPAC name of 2,6-dimethyl-4H-pyran;ethane (CID 143762964) is 2,6-dimethyl-4H-pyran;ethane.
What is the SMILES notation for 2,6-dimethyl-4H-pyran;ethane?
The canonical SMILES for 2,6-dimethyl-4H-pyran;ethane is CC.CC.CC1=CCC=C(C)O1.
What is the InChIKey of 2,6-dimethyl-4H-pyran;ethane?
The InChIKey is NFXYHNFEQVPHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O.2C2H6/c1-6-4-3-5-7(2)8-6;2*1-2/h4-5H,3H2,1-2H3;2*1-2H3.
What are the key properties of 2,6-dimethyl-4H-pyran;ethane?
2,6-dimethyl-4H-pyran;ethane has a molecular weight of 170.30 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4H-pyran;ethane is sourced from PubChem (CID 143762964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).