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

C8H12O2 — CID 558760

IUPAC4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran
SMILESC1=COC2CCCOC2C1
InChIInChI=1S/C8H12O2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,5,7-8H,2-4,6H2
InChIKeyCBSUQZXGNNTCFH-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.47
Rot. Bonds

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

4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran (PubChem CID 558760) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran.

Molecular Properties

Compound Name4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran
PubChem CID558760
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran
SMILESC1=COC2CCCOC2C1
InChIInChI=1S/C8H12O2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,5,7-8H,2-4,6H2
InChIKeyCBSUQZXGNNTCFH-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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Related Compounds

(4aR,8aR)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran
CID 53235925
(1R,3R,8R,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-ene
CID 135017456
(1R,10R)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradec-5-ene
CID 135017512
(2R,3R,4aR,8aR)-3-but-3-enoxy-2-prop-2-enyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
CID 135017677
(2R,3S)-2-but-3-enyl-3-pent-4-enoxyoxane
CID 10680678
(2S,3R)-3-but-1-en-2-yloxy-2-prop-2-enyloxane
CID 10954489
[(4aS,8aR)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-tributylstannane
CID 10993674
(2S,3R)-2-but-3-enyl-3-ethenoxyoxane
CID 102446458
2-(oxan-2-yl)-3,4-dihydro-2H-pyran
CID 66685474
(2R,3S)-3-but-3-enoxy-2-prop-2-enyloxane
CID 10607945
(2R,3S)-3-pent-4-enoxy-2-prop-2-enyloxane
CID 10608531
(2R,3S)-3-non-8-enoxy-2-prop-2-enyloxane
CID 10659433

Frequently Asked Questions

What is the IUPAC name of 4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran?
The IUPAC name of 4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran (CID 558760) is 4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran.
What is the SMILES notation for 4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran?
The canonical SMILES for 4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran is C1=COC2CCCOC2C1.
What is the InChIKey of 4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran?
The InChIKey is CBSUQZXGNNTCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,5,7-8H,2-4,6H2.
What are the key properties of 4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran?
4,4a,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 4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran is sourced from PubChem (CID 558760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).