triethoxy-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethyl]silane

C24H43O5PSi — CID 11655780

IUPACtriethoxy-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethyl]silane
SMILESCCO[Si](CC[P@](=O)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1ccccc1)(OCC)OCC
InChIInChI=1S/C24H43O5PSi/c1-7-26-31(27-8-2,28-9-3)18-17-30(25,22-13-11-10-12-14-22)29-24-19-21(6)15-16-23(24)20(4)5/h10-14,20-21,23-24H,7-9,15-19H2,1-6H3/t21-,23+,24-,30+/m1/s1
InChIKeyZMHIPCYUDMGDCD-YINFAOLWSA-N
MW470.66 g/mol
LogP6.12
Rot. Bonds13

About triethoxy-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethyl]silane

triethoxy-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethyl]silane (PubChem CID 11655780) has the molecular formula C24H43O5PSi and a molecular weight of 470.66 g/mol. Its IUPAC name is triethoxy-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethyl]silane.

Molecular Properties

Compound Nametriethoxy-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethyl]silane
PubChem CID11655780
Molecular FormulaC24H43O5PSi
Molecular Weight470.66 g/mol
Exact Mass470.26
IUPAC Nametriethoxy-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethyl]silane
SMILESCCO[Si](CC[P@](=O)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1ccccc1)(OCC)OCC
InChIInChI=1S/C24H43O5PSi/c1-7-26-31(27-8-2,28-9-3)18-17-30(25,22-13-11-10-12-14-22)29-24-19-21(6)15-16-23(24)20(4)5/h10-14,20-21,23-24H,7-9,15-19H2,1-6H3/t21-,23+,24-,30+/m1/s1
InChIKeyZMHIPCYUDMGDCD-YINFAOLWSA-N
XLogP6.12
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze triethoxy-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethyl]silane with MolForge

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Related Compounds

[2-diethoxyphosphorylethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
CID 11604696
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-(2-phenylsulfanylethyl)phosphoryl]benzene
CID 11582440
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]methylbenzene
CID 102262705
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 11792591
[[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 98130025
ethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenyl-sulfanylidene-λ5-phosphane
CID 23415856
N-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]butan-1-amine
CID 46702321
N-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine
CID 11907532
1,4-bis[[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]oxy]benzene
CID 102226548
[cyclopentyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
CID 11617205
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]oxybenzene
CID 46702319
N-[(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylphosphoryl]propan-2-amine
CID 3577659

Frequently Asked Questions

What is the IUPAC name of triethoxy-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethyl]silane?
The IUPAC name of triethoxy-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethyl]silane (CID 11655780) is triethoxy-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethyl]silane.
What is the SMILES notation for triethoxy-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethyl]silane?
The canonical SMILES for triethoxy-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethyl]silane is CCO[Si](CC[P@](=O)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1ccccc1)(OCC)OCC.
What is the InChIKey of triethoxy-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethyl]silane?
The InChIKey is ZMHIPCYUDMGDCD-YINFAOLWSA-N. The full InChI is InChI=1S/C24H43O5PSi/c1-7-26-31(27-8-2,28-9-3)18-17-30(25,22-13-11-10-12-14-22)29-24-19-21(6)15-16-23(24)20(4)5/h10-14,20-21,23-24H,7-9,15-19H2,1-6H3/t21-,23+,24-,30+/m1/s1.
What are the key properties of triethoxy-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethyl]silane?
triethoxy-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethyl]silane has a molecular weight of 470.66 g/mol, XLogP of 6.12, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethyl]silane is sourced from PubChem (CID 11655780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).