tris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phosphite

C30H57O3P — CID 11397855

IUPACtris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phosphite
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C30H57O3P/c1-19(2)25-13-10-22(7)16-28(25)31-34(32-29-17-23(8)11-14-26(29)20(3)4)33-30-18-24(9)12-15-27(30)21(5)6/h19-30H,10-18H2,1-9H3/t22-,23-,24-,25+,26+,27+,28-,29-,30-/m1/s1
InChIKeyZYWWWADPKQOOEL-YABOVECJSA-N
MW496.76 g/mol
LogP9.65
Rot. Bonds9

About tris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phosphite

tris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phosphite (PubChem CID 11397855) has the molecular formula C30H57O3P and a molecular weight of 496.76 g/mol. Its IUPAC name is tris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phosphite.

Molecular Properties

Compound Nametris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phosphite
PubChem CID11397855
Molecular FormulaC30H57O3P
Molecular Weight496.76 g/mol
Exact Mass496.40
IUPAC Nametris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phosphite
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C30H57O3P/c1-19(2)25-13-10-22(7)16-28(25)31-34(32-29-17-23(8)11-14-26(29)20(3)4)33-30-18-24(9)12-15-27(30)21(5)6/h19-30H,10-18H2,1-9H3/t22-,23-,24-,25+,26+,27+,28-,29-,30-/m1/s1
InChIKeyZYWWWADPKQOOEL-YABOVECJSA-N
XLogP9.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.76
LogP ≤ 59.65
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 tris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phosphite?
The IUPAC name of tris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phosphite (CID 11397855) is tris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phosphite.
What is the SMILES notation for tris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phosphite?
The canonical SMILES for tris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phosphite is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of tris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phosphite?
The InChIKey is ZYWWWADPKQOOEL-YABOVECJSA-N. The full InChI is InChI=1S/C30H57O3P/c1-19(2)25-13-10-22(7)16-28(25)31-34(32-29-17-23(8)11-14-26(29)20(3)4)33-30-18-24(9)12-15-27(30)21(5)6/h19-30H,10-18H2,1-9H3/t22-,23-,24-,25+,26+,27+,28-,29-,30-/m1/s1.
What are the key properties of tris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phosphite?
tris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phosphite has a molecular weight of 496.76 g/mol, XLogP of 9.65, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phosphite is sourced from PubChem (CID 11397855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).