2,3,6,7,8,8a-hexahydropyrano[3,2-b]pyran

C8H12O2 — CID 145375800

IUPAC2,3,6,7,8,8a-hexahydropyrano[3,2-b]pyran
SMILESC1=C2OCCCC2OCC1
InChIInChI=1S/C8H12O2/c1-3-7-8(9-5-1)4-2-6-10-7/h3,8H,1-2,4-6H2
InChIKeyJTDXEBUAJQKDSJ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.47
Rot. Bonds

About 2,3,6,7,8,8a-hexahydropyrano[3,2-b]pyran

2,3,6,7,8,8a-hexahydropyrano[3,2-b]pyran (PubChem CID 145375800) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2,3,6,7,8,8a-hexahydropyrano[3,2-b]pyran.

Molecular Properties

Compound Name2,3,6,7,8,8a-hexahydropyrano[3,2-b]pyran
PubChem CID145375800
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2,3,6,7,8,8a-hexahydropyrano[3,2-b]pyran
SMILESC1=C2OCCCC2OCC1
InChIInChI=1S/C8H12O2/c1-3-7-8(9-5-1)4-2-6-10-7/h3,8H,1-2,4-6H2
InChIKeyJTDXEBUAJQKDSJ-UHFFFAOYSA-N
XLogP1.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7,8,8a-hexahydropyrano[3,2-b]pyran?
The IUPAC name of 2,3,6,7,8,8a-hexahydropyrano[3,2-b]pyran (CID 145375800) is 2,3,6,7,8,8a-hexahydropyrano[3,2-b]pyran.
What is the SMILES notation for 2,3,6,7,8,8a-hexahydropyrano[3,2-b]pyran?
The canonical SMILES for 2,3,6,7,8,8a-hexahydropyrano[3,2-b]pyran is C1=C2OCCCC2OCC1.
What is the InChIKey of 2,3,6,7,8,8a-hexahydropyrano[3,2-b]pyran?
The InChIKey is JTDXEBUAJQKDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-7-8(9-5-1)4-2-6-10-7/h3,8H,1-2,4-6H2.
What are the key properties of 2,3,6,7,8,8a-hexahydropyrano[3,2-b]pyran?
2,3,6,7,8,8a-hexahydropyrano[3,2-b]pyran has a molecular weight of 140.18 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7,8,8a-hexahydropyrano[3,2-b]pyran is sourced from PubChem (CID 145375800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).