[(1R,3S,8S)-2-(methoxymethyl)-8-methyl-5,7-dioxatricyclo[2.2.2.01,3]octan-2-yl]oxy-methylphosphinic acid

C10H17O6P — CID 157059713

IUPAC[(1R,3S,8S)-2-(methoxymethyl)-8-methyl-5,7-dioxatricyclo[2.2.2.01,3]octan-2-yl]oxy-methylphosphinic acid
SMILESCOCC1(OP(C)(=O)O)[C@H]2C3OC[C@]21O[C@H]3C
InChIInChI=1S/C10H17O6P/c1-6-7-8-9(15-6,5-14-7)10(8,4-13-2)16-17(3,11)12/h6-8H,4-5H2,1-3H3,(H,11,12)/t6-,7?,8-,9-,10?/m0/s1
InChIKeyBVNCAZQLEMIWBD-OHALBWOSSA-N
MW264.21 g/mol
LogP0.39
Rot. Bonds4

About [(1R,3S,8S)-2-(methoxymethyl)-8-methyl-5,7-dioxatricyclo[2.2.2.01,3]octan-2-yl]oxy-methylphosphinic acid

[(1R,3S,8S)-2-(methoxymethyl)-8-methyl-5,7-dioxatricyclo[2.2.2.01,3]octan-2-yl]oxy-methylphosphinic acid (PubChem CID 157059713) has the molecular formula C10H17O6P and a molecular weight of 264.21 g/mol. Its IUPAC name is [(1R,3S,8S)-2-(methoxymethyl)-8-methyl-5,7-dioxatricyclo[2.2.2.01,3]octan-2-yl]oxy-methylphosphinic acid.

Molecular Properties

Compound Name[(1R,3S,8S)-2-(methoxymethyl)-8-methyl-5,7-dioxatricyclo[2.2.2.01,3]octan-2-yl]oxy-methylphosphinic acid
PubChem CID157059713
Molecular FormulaC10H17O6P
Molecular Weight264.21 g/mol
Exact Mass264.08
IUPAC Name[(1R,3S,8S)-2-(methoxymethyl)-8-methyl-5,7-dioxatricyclo[2.2.2.01,3]octan-2-yl]oxy-methylphosphinic acid
SMILESCOCC1(OP(C)(=O)O)[C@H]2C3OC[C@]21O[C@H]3C
InChIInChI=1S/C10H17O6P/c1-6-7-8-9(15-6,5-14-7)10(8,4-13-2)16-17(3,11)12/h6-8H,4-5H2,1-3H3,(H,11,12)/t6-,7?,8-,9-,10?/m0/s1
InChIKeyBVNCAZQLEMIWBD-OHALBWOSSA-N
XLogP0.39
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S,8S)-2-(methoxymethyl)-8-methyl-5,7-dioxatricyclo[2.2.2.01,3]octan-2-yl]oxy-methylphosphinic acid?
The IUPAC name of [(1R,3S,8S)-2-(methoxymethyl)-8-methyl-5,7-dioxatricyclo[2.2.2.01,3]octan-2-yl]oxy-methylphosphinic acid (CID 157059713) is [(1R,3S,8S)-2-(methoxymethyl)-8-methyl-5,7-dioxatricyclo[2.2.2.01,3]octan-2-yl]oxy-methylphosphinic acid.
What is the SMILES notation for [(1R,3S,8S)-2-(methoxymethyl)-8-methyl-5,7-dioxatricyclo[2.2.2.01,3]octan-2-yl]oxy-methylphosphinic acid?
The canonical SMILES for [(1R,3S,8S)-2-(methoxymethyl)-8-methyl-5,7-dioxatricyclo[2.2.2.01,3]octan-2-yl]oxy-methylphosphinic acid is COCC1(OP(C)(=O)O)[C@H]2C3OC[C@]21O[C@H]3C.
What is the InChIKey of [(1R,3S,8S)-2-(methoxymethyl)-8-methyl-5,7-dioxatricyclo[2.2.2.01,3]octan-2-yl]oxy-methylphosphinic acid?
The InChIKey is BVNCAZQLEMIWBD-OHALBWOSSA-N. The full InChI is InChI=1S/C10H17O6P/c1-6-7-8-9(15-6,5-14-7)10(8,4-13-2)16-17(3,11)12/h6-8H,4-5H2,1-3H3,(H,11,12)/t6-,7?,8-,9-,10?/m0/s1.
What are the key properties of [(1R,3S,8S)-2-(methoxymethyl)-8-methyl-5,7-dioxatricyclo[2.2.2.01,3]octan-2-yl]oxy-methylphosphinic acid?
[(1R,3S,8S)-2-(methoxymethyl)-8-methyl-5,7-dioxatricyclo[2.2.2.01,3]octan-2-yl]oxy-methylphosphinic acid has a molecular weight of 264.21 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S,8S)-2-(methoxymethyl)-8-methyl-5,7-dioxatricyclo[2.2.2.01,3]octan-2-yl]oxy-methylphosphinic acid is sourced from PubChem (CID 157059713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).