(4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran

C8H12O2 — CID 15329988

IUPAC(4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran
SMILESC1=C[C@H]2OCCC[C@@H]2OC1
InChIInChI=1S/C8H12O2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,3,7-8H,2,4-6H2/t7-,8+/m1/s1
InChIKeyAKJXNBAANCVQPT-SFYZADRCSA-N
MW140.18 g/mol
LogP1.12
Rot. Bonds

About (4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran

(4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran (PubChem CID 15329988) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran.

Molecular Properties

Compound Name(4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran
PubChem CID15329988
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran
SMILESC1=C[C@H]2OCCC[C@@H]2OC1
InChIInChI=1S/C8H12O2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,3,7-8H,2,4-6H2/t7-,8+/m1/s1
InChIKeyAKJXNBAANCVQPT-SFYZADRCSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,10E,12R)-2,13-dioxabicyclo[10.4.0]hexadec-10-ene
CID 10727868
(4aR,7aS)-2,4a,5,6,7,7a-hexahydrocyclopenta[b]pyran
CID 157257141
(2S,4aR,8aS)-2-ethenyl-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran
CID 132969000
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane
CID 23848053
2,3,4,4a,6,8a-hexahydrochromen-5-one
CID 90111544
2-(oxiran-2-yl)oxolane
CID 18759351
(3R)-3-[(2R)-2,5-dihydrofuran-2-yl]-1,4-dioxaspiro[4.5]decane
CID 135038138
(1R,3S,8R,11S,13R,18S,20R)-20-methyl-2,7,12,17-tetraoxatetracyclo[9.9.0.03,8.013,18]icos-9-ene
CID 11162208
3-(oxolan-2-yl)dioxolane
CID 22111450
(1S,6E,13R)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene
CID 15321473
(4aR,9aS)-3,4,4a,5,8,9a-hexahydro-2H-pyrano[2,3-b]oxepine
CID 23658888
2-(oxolan-2-yl)-3,4-dihydro-2H-pyran
CID 141197710

Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran?
The IUPAC name of (4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran (CID 15329988) is (4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran.
What is the SMILES notation for (4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran?
The canonical SMILES for (4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran is C1=C[C@H]2OCCC[C@@H]2OC1.
What is the InChIKey of (4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran?
The InChIKey is AKJXNBAANCVQPT-SFYZADRCSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,3,7-8H,2,4-6H2/t7-,8+/m1/s1.
What are the key properties of (4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran?
(4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran has a molecular weight of 140.18 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran is sourced from PubChem (CID 15329988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).