2,6-dimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran

C10H18O2 — CID 58839695

IUPAC2,6-dimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran
SMILESCC1COC2OC(C)CCC2C1
InChIInChI=1S/C10H18O2/c1-7-5-9-4-3-8(2)12-10(9)11-6-7/h7-10H,3-6H2,1-2H3
InChIKeyDUFUPTYUTBPNLV-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.18
Rot. Bonds

About 2,6-dimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran

2,6-dimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran (PubChem CID 58839695) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2,6-dimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran.

Molecular Properties

Compound Name2,6-dimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran
PubChem CID58839695
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2,6-dimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran
SMILESCC1COC2OC(C)CCC2C1
InChIInChI=1S/C10H18O2/c1-7-5-9-4-3-8(2)12-10(9)11-6-7/h7-10H,3-6H2,1-2H3
InChIKeyDUFUPTYUTBPNLV-UHFFFAOYSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6-dimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran?
The IUPAC name of 2,6-dimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran (CID 58839695) is 2,6-dimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran.
What is the SMILES notation for 2,6-dimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran?
The canonical SMILES for 2,6-dimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran is CC1COC2OC(C)CCC2C1.
What is the InChIKey of 2,6-dimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran?
The InChIKey is DUFUPTYUTBPNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-5-9-4-3-8(2)12-10(9)11-6-7/h7-10H,3-6H2,1-2H3.
What are the key properties of 2,6-dimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran?
2,6-dimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran has a molecular weight of 170.25 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran is sourced from PubChem (CID 58839695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).