[(6S,8R,8aS)-6,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]-methylphosphanylphosphane

C11H22O3P2 — CID 159656457

IUPAC[(6S,8R,8aS)-6,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]-methylphosphanylphosphane
SMILESCPPC1OCC2O[C@@H](C)C(C)[C@@H](C)[C@@H]2O1
InChIInChI=1S/C11H22O3P2/c1-6-7(2)10-9(13-8(6)3)5-12-11(14-10)16-15-4/h6-11,15-16H,5H2,1-4H3/t6?,7-,8+,9?,10+,11?/m1/s1
InChIKeyPJZNVRUVCWFAHD-NDDVZBQSSA-N
MW264.24 g/mol
LogP2.65
Rot. Bonds2

About [(6S,8R,8aS)-6,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]-methylphosphanylphosphane

[(6S,8R,8aS)-6,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]-methylphosphanylphosphane (PubChem CID 159656457) has the molecular formula C11H22O3P2 and a molecular weight of 264.24 g/mol. Its IUPAC name is [(6S,8R,8aS)-6,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]-methylphosphanylphosphane.

Molecular Properties

Compound Name[(6S,8R,8aS)-6,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]-methylphosphanylphosphane
PubChem CID159656457
Molecular FormulaC11H22O3P2
Molecular Weight264.24 g/mol
Exact Mass264.10
IUPAC Name[(6S,8R,8aS)-6,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]-methylphosphanylphosphane
SMILESCPPC1OCC2O[C@@H](C)C(C)[C@@H](C)[C@@H]2O1
InChIInChI=1S/C11H22O3P2/c1-6-7(2)10-9(13-8(6)3)5-12-11(14-10)16-15-4/h6-11,15-16H,5H2,1-4H3/t6?,7-,8+,9?,10+,11?/m1/s1
InChIKeyPJZNVRUVCWFAHD-NDDVZBQSSA-N
XLogP2.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(6S,8R,8aS)-6,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]-methylphosphanylphosphane?
The IUPAC name of [(6S,8R,8aS)-6,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]-methylphosphanylphosphane (CID 159656457) is [(6S,8R,8aS)-6,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]-methylphosphanylphosphane.
What is the SMILES notation for [(6S,8R,8aS)-6,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]-methylphosphanylphosphane?
The canonical SMILES for [(6S,8R,8aS)-6,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]-methylphosphanylphosphane is CPPC1OCC2O[C@@H](C)C(C)[C@@H](C)[C@@H]2O1.
What is the InChIKey of [(6S,8R,8aS)-6,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]-methylphosphanylphosphane?
The InChIKey is PJZNVRUVCWFAHD-NDDVZBQSSA-N. The full InChI is InChI=1S/C11H22O3P2/c1-6-7(2)10-9(13-8(6)3)5-12-11(14-10)16-15-4/h6-11,15-16H,5H2,1-4H3/t6?,7-,8+,9?,10+,11?/m1/s1.
What are the key properties of [(6S,8R,8aS)-6,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]-methylphosphanylphosphane?
[(6S,8R,8aS)-6,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]-methylphosphanylphosphane has a molecular weight of 264.24 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S,8R,8aS)-6,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]-methylphosphanylphosphane is sourced from PubChem (CID 159656457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).