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

C11H22BO4P — CID 160943298

IUPAC[[(6R,8R,8aS)-2,6,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-methylboranyl]phosphane
SMILESCB(P)O[C@@H]1C(C)[C@@H](C)OC2COC(C)O[C@H]21
InChIInChI=1S/C11H22BO4P/c1-6-7(2)14-9-5-13-8(3)15-11(9)10(6)16-12(4)17/h6-11H,5,17H2,1-4H3/t6?,7-,8?,9?,10-,11-/m1/s1
InChIKeyPFMZBJCXQCRIOM-XDEUNEBJSA-N
MW260.08 g/mol
LogP1.55
Rot. Bonds2

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

[[(6R,8R,8aS)-2,6,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-methylboranyl]phosphane (PubChem CID 160943298) has the molecular formula C11H22BO4P and a molecular weight of 260.08 g/mol. Its IUPAC name is [[(6R,8R,8aS)-2,6,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-methylboranyl]phosphane.

Molecular Properties

Compound Name[[(6R,8R,8aS)-2,6,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-methylboranyl]phosphane
PubChem CID160943298
Molecular FormulaC11H22BO4P
Molecular Weight260.08 g/mol
Exact Mass260.13
IUPAC Name[[(6R,8R,8aS)-2,6,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-methylboranyl]phosphane
SMILESCB(P)O[C@@H]1C(C)[C@@H](C)OC2COC(C)O[C@H]21
InChIInChI=1S/C11H22BO4P/c1-6-7(2)14-9-5-13-8(3)15-11(9)10(6)16-12(4)17/h6-11H,5,17H2,1-4H3/t6?,7-,8?,9?,10-,11-/m1/s1
InChIKeyPFMZBJCXQCRIOM-XDEUNEBJSA-N
XLogP1.55
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [[(6R,8R,8aS)-2,6,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-methylboranyl]phosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [[(6R,8R,8aS)-2,6,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-methylboranyl]phosphane?
The IUPAC name of [[(6R,8R,8aS)-2,6,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-methylboranyl]phosphane (CID 160943298) is [[(6R,8R,8aS)-2,6,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-methylboranyl]phosphane.
What is the SMILES notation for [[(6R,8R,8aS)-2,6,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-methylboranyl]phosphane?
The canonical SMILES for [[(6R,8R,8aS)-2,6,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-methylboranyl]phosphane is CB(P)O[C@@H]1C(C)[C@@H](C)OC2COC(C)O[C@H]21.
What is the InChIKey of [[(6R,8R,8aS)-2,6,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-methylboranyl]phosphane?
The InChIKey is PFMZBJCXQCRIOM-XDEUNEBJSA-N. The full InChI is InChI=1S/C11H22BO4P/c1-6-7(2)14-9-5-13-8(3)15-11(9)10(6)16-12(4)17/h6-11H,5,17H2,1-4H3/t6?,7-,8?,9?,10-,11-/m1/s1.
What are the key properties of [[(6R,8R,8aS)-2,6,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-methylboranyl]phosphane?
[[(6R,8R,8aS)-2,6,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-methylboranyl]phosphane has a molecular weight of 260.08 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[(6R,8R,8aS)-2,6,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-methylboranyl]phosphane is sourced from PubChem (CID 160943298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).