[[(E)-2-(cyclohexen-1-yl)ethenyl]-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene

C24H35O2P — CID 134933693

IUPAC[[(E)-2-(cyclohexen-1-yl)ethenyl]-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(/C=C/C1=CCCCC1)c1ccccc1
InChIInChI=1S/C24H35O2P/c1-19(2)23-15-14-20(3)18-24(23)26-27(25,22-12-8-5-9-13-22)17-16-21-10-6-4-7-11-21/h5,8-10,12-13,16-17,19-20,23-24H,4,6-7,11,14-15,18H2,1-3H3/b17-16+/t20-,23+,24-,27-/m1/s1
InChIKeyXXYMEKQMBQVTST-MIAAYALESA-N
MW386.52 g/mol
LogP7.08
Rot. Bonds6

About [[(E)-2-(cyclohexen-1-yl)ethenyl]-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene

[[(E)-2-(cyclohexen-1-yl)ethenyl]-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene (PubChem CID 134933693) has the molecular formula C24H35O2P and a molecular weight of 386.52 g/mol. Its IUPAC name is [[(E)-2-(cyclohexen-1-yl)ethenyl]-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene.

Molecular Properties

Compound Name[[(E)-2-(cyclohexen-1-yl)ethenyl]-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
PubChem CID134933693
Molecular FormulaC24H35O2P
Molecular Weight386.52 g/mol
Exact Mass386.24
IUPAC Name[[(E)-2-(cyclohexen-1-yl)ethenyl]-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(/C=C/C1=CCCCC1)c1ccccc1
InChIInChI=1S/C24H35O2P/c1-19(2)23-15-14-20(3)18-24(23)26-27(25,22-12-8-5-9-13-22)17-16-21-10-6-4-7-11-21/h5,8-10,12-13,16-17,19-20,23-24H,4,6-7,11,14-15,18H2,1-3H3/b17-16+/t20-,23+,24-,27-/m1/s1
InChIKeyXXYMEKQMBQVTST-MIAAYALESA-N
XLogP7.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethenyl]benzene
CID 121493806
[ethenyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
CID 11702254
[[(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
N-[(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylphosphoryl]propan-2-amine
CID 3577659
[cyclopentyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
CID 11617205
N-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine
CID 11907532
[cyclohexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
CID 139080801
1,4-bis[[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]oxy]benzene
CID 102226548
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]oxybenzene
CID 46702319
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]methylbenzene
CID 102262705
2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine
CID 11899942

Frequently Asked Questions

What is the IUPAC name of [[(E)-2-(cyclohexen-1-yl)ethenyl]-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene?
The IUPAC name of [[(E)-2-(cyclohexen-1-yl)ethenyl]-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene (CID 134933693) is [[(E)-2-(cyclohexen-1-yl)ethenyl]-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene.
What is the SMILES notation for [[(E)-2-(cyclohexen-1-yl)ethenyl]-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene?
The canonical SMILES for [[(E)-2-(cyclohexen-1-yl)ethenyl]-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(/C=C/C1=CCCCC1)c1ccccc1.
What is the InChIKey of [[(E)-2-(cyclohexen-1-yl)ethenyl]-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene?
The InChIKey is XXYMEKQMBQVTST-MIAAYALESA-N. The full InChI is InChI=1S/C24H35O2P/c1-19(2)23-15-14-20(3)18-24(23)26-27(25,22-12-8-5-9-13-22)17-16-21-10-6-4-7-11-21/h5,8-10,12-13,16-17,19-20,23-24H,4,6-7,11,14-15,18H2,1-3H3/b17-16+/t20-,23+,24-,27-/m1/s1.
What are the key properties of [[(E)-2-(cyclohexen-1-yl)ethenyl]-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene?
[[(E)-2-(cyclohexen-1-yl)ethenyl]-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene has a molecular weight of 386.52 g/mol, XLogP of 7.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-2-(cyclohexen-1-yl)ethenyl]-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene is sourced from PubChem (CID 134933693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).