[3,5-bis(diphenylphosphanyl)-1,3,5-tris(oxan-2-ylmethoxymethyl)cyclohexyl]-diphenylphosphane

C63H75O6P3 — CID 15799396

IUPAC[3,5-bis(diphenylphosphanyl)-1,3,5-tris(oxan-2-ylmethoxymethyl)cyclohexyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)C2(COCC3CCCCO3)CC(COCC3CCCCO3)(P(c3ccccc3)c3ccccc3)CC(COCC3CCCCO3)(P(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C63H75O6P3/c1-7-28-55(29-8-1)70(56-30-9-2-10-31-56)61(49-64-43-52-25-19-22-40-67-52)46-62(50-65-44-53-26-20-23-41-68-53,71(57-32-11-3-12-33-57)58-34-13-4-14-35-58)48-63(47-61,51-66-45-54-27-21-24-42-69-54)72(59-36-15-5-16-37-59)60-38-17-6-18-39-60/h1-18,28-39,52-54H,19-27,40-51H2
InChIKeyYTXJICGEZCAWAE-UHFFFAOYSA-N
MW1021.21 g/mol
LogP11.54
Rot. Bonds21

About [3,5-bis(diphenylphosphanyl)-1,3,5-tris(oxan-2-ylmethoxymethyl)cyclohexyl]-diphenylphosphane

[3,5-bis(diphenylphosphanyl)-1,3,5-tris(oxan-2-ylmethoxymethyl)cyclohexyl]-diphenylphosphane (PubChem CID 15799396) has the molecular formula C63H75O6P3 and a molecular weight of 1021.21 g/mol. Its IUPAC name is [3,5-bis(diphenylphosphanyl)-1,3,5-tris(oxan-2-ylmethoxymethyl)cyclohexyl]-diphenylphosphane.

Molecular Properties

Compound Name[3,5-bis(diphenylphosphanyl)-1,3,5-tris(oxan-2-ylmethoxymethyl)cyclohexyl]-diphenylphosphane
PubChem CID15799396
Molecular FormulaC63H75O6P3
Molecular Weight1021.21 g/mol
Exact Mass1020.48
IUPAC Name[3,5-bis(diphenylphosphanyl)-1,3,5-tris(oxan-2-ylmethoxymethyl)cyclohexyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)C2(COCC3CCCCO3)CC(COCC3CCCCO3)(P(c3ccccc3)c3ccccc3)CC(COCC3CCCCO3)(P(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C63H75O6P3/c1-7-28-55(29-8-1)70(56-30-9-2-10-31-56)61(49-64-43-52-25-19-22-40-67-52)46-62(50-65-44-53-26-20-23-41-68-53,71(57-32-11-3-12-33-57)58-34-13-4-14-35-58)48-63(47-61,51-66-45-54-27-21-24-42-69-54)72(59-36-15-5-16-37-59)60-38-17-6-18-39-60/h1-18,28-39,52-54H,19-27,40-51H2
InChIKeyYTXJICGEZCAWAE-UHFFFAOYSA-N
XLogP11.54
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.21
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [3,5-bis(diphenylphosphanyl)-1,3,5-tris(oxan-2-ylmethoxymethyl)cyclohexyl]-diphenylphosphane with MolForge

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Related Compounds

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CID 91298433
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2-benzyloxepane
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2-(oxan-2-ylmethoxy)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide
CID 46955879
ethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol
CID 143051501
2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
CID 28602321
2-[[(2S)-oxolan-2-yl]methoxymethyl]benzenethiol
CID 97294081
3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine
CID 43182521
N-[3-(oxolan-2-ylmethoxy)propyl]-3-phenylpropan-1-amine
CID 43182561
2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol
CID 116695480
2-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24702281

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(diphenylphosphanyl)-1,3,5-tris(oxan-2-ylmethoxymethyl)cyclohexyl]-diphenylphosphane?
The IUPAC name of [3,5-bis(diphenylphosphanyl)-1,3,5-tris(oxan-2-ylmethoxymethyl)cyclohexyl]-diphenylphosphane (CID 15799396) is [3,5-bis(diphenylphosphanyl)-1,3,5-tris(oxan-2-ylmethoxymethyl)cyclohexyl]-diphenylphosphane.
What is the SMILES notation for [3,5-bis(diphenylphosphanyl)-1,3,5-tris(oxan-2-ylmethoxymethyl)cyclohexyl]-diphenylphosphane?
The canonical SMILES for [3,5-bis(diphenylphosphanyl)-1,3,5-tris(oxan-2-ylmethoxymethyl)cyclohexyl]-diphenylphosphane is c1ccc(P(c2ccccc2)C2(COCC3CCCCO3)CC(COCC3CCCCO3)(P(c3ccccc3)c3ccccc3)CC(COCC3CCCCO3)(P(c3ccccc3)c3ccccc3)C2)cc1.
What is the InChIKey of [3,5-bis(diphenylphosphanyl)-1,3,5-tris(oxan-2-ylmethoxymethyl)cyclohexyl]-diphenylphosphane?
The InChIKey is YTXJICGEZCAWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H75O6P3/c1-7-28-55(29-8-1)70(56-30-9-2-10-31-56)61(49-64-43-52-25-19-22-40-67-52)46-62(50-65-44-53-26-20-23-41-68-53,71(57-32-11-3-12-33-57)58-34-13-4-14-35-58)48-63(47-61,51-66-45-54-27-21-24-42-69-54)72(59-36-15-5-16-37-59)60-38-17-6-18-39-60/h1-18,28-39,52-54H,19-27,40-51H2.
What are the key properties of [3,5-bis(diphenylphosphanyl)-1,3,5-tris(oxan-2-ylmethoxymethyl)cyclohexyl]-diphenylphosphane?
[3,5-bis(diphenylphosphanyl)-1,3,5-tris(oxan-2-ylmethoxymethyl)cyclohexyl]-diphenylphosphane has a molecular weight of 1021.21 g/mol, XLogP of 11.54, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(diphenylphosphanyl)-1,3,5-tris(oxan-2-ylmethoxymethyl)cyclohexyl]-diphenylphosphane is sourced from PubChem (CID 15799396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).