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

C16H22O4 — CID 134979960

IUPAC(4aR,8aS)-2-[(4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran
SMILESC1=C[C@H]2OCCC[C@@H]2OC1C1C=C[C@H]2OCCC[C@@H]2O1
InChIInChI=1S/C16H22O4/c1-3-13-11(17-9-1)5-7-15(19-13)16-8-6-12-14(20-16)4-2-10-18-12/h5-8,11-16H,1-4,9-10H2/t11-,12-,13+,14+,15?,16?/m1/s1
InChIKeyRNBDWGHRZNGTCD-FVAZMBRWSA-N
MW278.35 g/mol
LogP1.99
Rot. Bonds1

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

(4aR,8aS)-2-[(4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran (PubChem CID 134979960) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is (4aR,8aS)-2-[(4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran.

Molecular Properties

Compound Name(4aR,8aS)-2-[(4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran
PubChem CID134979960
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name(4aR,8aS)-2-[(4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran
SMILESC1=C[C@H]2OCCC[C@@H]2OC1C1C=C[C@H]2OCCC[C@@H]2O1
InChIInChI=1S/C16H22O4/c1-3-13-11(17-9-1)5-7-15(19-13)16-8-6-12-14(20-16)4-2-10-18-12/h5-8,11-16H,1-4,9-10H2/t11-,12-,13+,14+,15?,16?/m1/s1
InChIKeyRNBDWGHRZNGTCD-FVAZMBRWSA-N
XLogP1.99
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-2-[(4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran?
The IUPAC name of (4aR,8aS)-2-[(4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran (CID 134979960) is (4aR,8aS)-2-[(4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran.
What is the SMILES notation for (4aR,8aS)-2-[(4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran?
The canonical SMILES for (4aR,8aS)-2-[(4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran is C1=C[C@H]2OCCC[C@@H]2OC1C1C=C[C@H]2OCCC[C@@H]2O1.
What is the InChIKey of (4aR,8aS)-2-[(4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran?
The InChIKey is RNBDWGHRZNGTCD-FVAZMBRWSA-N. The full InChI is InChI=1S/C16H22O4/c1-3-13-11(17-9-1)5-7-15(19-13)16-8-6-12-14(20-16)4-2-10-18-12/h5-8,11-16H,1-4,9-10H2/t11-,12-,13+,14+,15?,16?/m1/s1.
What are the key properties of (4aR,8aS)-2-[(4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran?
(4aR,8aS)-2-[(4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran has a molecular weight of 278.35 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-2-[(4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran is sourced from PubChem (CID 134979960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).