(4aR,6S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

C14H18O4 — CID 13379423

IUPAC(4aR,6S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILESCO[C@@H]1CC[C@@H]2OC(c3ccccc3)OC[C@H]2O1
InChIInChI=1S/C14H18O4/c1-15-13-8-7-11-12(17-13)9-16-14(18-11)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12+,13-,14?/m0/s1
InChIKeyLASCUIFSNMHEDR-WJLOJVBCSA-N
MW250.29 g/mol
LogP2.25
Rot. Bonds2

About (4aR,6S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

(4aR,6S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (PubChem CID 13379423) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (4aR,6S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.

Molecular Properties

Compound Name(4aR,6S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
PubChem CID13379423
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(4aR,6S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILESCO[C@@H]1CC[C@@H]2OC(c3ccccc3)OC[C@H]2O1
InChIInChI=1S/C14H18O4/c1-15-13-8-7-11-12(17-13)9-16-14(18-11)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12+,13-,14?/m0/s1
InChIKeyLASCUIFSNMHEDR-WJLOJVBCSA-N
XLogP2.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4aR,6S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The IUPAC name of (4aR,6S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (CID 13379423) is (4aR,6S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.
What is the SMILES notation for (4aR,6S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The canonical SMILES for (4aR,6S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is CO[C@@H]1CC[C@@H]2OC(c3ccccc3)OC[C@H]2O1.
What is the InChIKey of (4aR,6S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The InChIKey is LASCUIFSNMHEDR-WJLOJVBCSA-N. The full InChI is InChI=1S/C14H18O4/c1-15-13-8-7-11-12(17-13)9-16-14(18-11)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12+,13-,14?/m0/s1.
What are the key properties of (4aR,6S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
(4aR,6S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine has a molecular weight of 250.29 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 13379423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).