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

C8H14O2 — CID 588023

IUPAC2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran
SMILESC1COC2OCCCC2C1
InChIInChI=1S/C8H14O2/c1-3-7-4-2-6-10-8(7)9-5-1/h7-8H,1-6H2
InChIKeyDKLQRBQSFXEHMZ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.55
Rot. Bonds

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

2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran (PubChem CID 588023) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran
PubChem CID588023
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran
SMILESC1COC2OCCCC2C1
InChIInChI=1S/C8H14O2/c1-3-7-4-2-6-10-8(7)9-5-1/h7-8H,1-6H2
InChIKeyDKLQRBQSFXEHMZ-UHFFFAOYSA-N
XLogP1.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylmethoxy)tetrahydro-2H-pyran
CID 13184695
2,4-Diisopropylhexahydropyrano[2,3-d] m-dioxin
CID 225391
2,4-Dipropyltetrahydro-4H,5H-pyrano[2,3-d][1,3]dioxine
CID 225392
(3S,4aR,8aS)-3-methoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
CID 101342690
(3R,4aR,8aS)-3-methoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
CID 101342693
3-Ethyl-2,6,7-trimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran
CID 23522644
2-Methoxy-3-propyloxane
CID 54541745
2-Methoxy-5-propyloxane
CID 54555602
2,6-Dimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran
CID 58839695
2-[3-(Oxan-3-yl)propoxy]oxane
CID 71213961
2-Propoxy-3-propyloxane
CID 89019415
(4aR,8aS)-2-methyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran
CID 10034854

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran?
The IUPAC name of 2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran (CID 588023) is 2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran.
What is the SMILES notation for 2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran?
The canonical SMILES for 2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran is C1COC2OCCCC2C1.
What is the InChIKey of 2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran?
The InChIKey is DKLQRBQSFXEHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-7-4-2-6-10-8(7)9-5-1/h7-8H,1-6H2.
What are the key properties of 2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran?
2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran has a molecular weight of 142.20 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran is sourced from PubChem (CID 588023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).