[cyclohexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene

C22H35O2P — CID 139080801

IUPAC[cyclohexyl-[(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)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H35O2P/c1-17(2)21-15-14-18(3)16-22(21)24-25(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4,6-7,10-11,17-18,20-22H,5,8-9,12-16H2,1-3H3/t18-,21+,22-,25-/m1/s1
InChIKeyZKLTZXOMXBXGHF-LALUYCJQSA-N
MW362.49 g/mol
LogP6.40
Rot. Bonds5

About [cyclohexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene

[cyclohexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene (PubChem CID 139080801) has the molecular formula C22H35O2P and a molecular weight of 362.49 g/mol. Its IUPAC name is [cyclohexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene.

Molecular Properties

Compound Name[cyclohexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
PubChem CID139080801
Molecular FormulaC22H35O2P
Molecular Weight362.49 g/mol
Exact Mass362.24
IUPAC Name[cyclohexyl-[(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)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H35O2P/c1-17(2)21-15-14-18(3)16-22(21)24-25(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4,6-7,10-11,17-18,20-22H,5,8-9,12-16H2,1-3H3/t18-,21+,22-,25-/m1/s1
InChIKeyZKLTZXOMXBXGHF-LALUYCJQSA-N
XLogP6.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.49
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

[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]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
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
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]oxybenzene
CID 46702319
[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]methylbenzene
CID 102262705
2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine
CID 11899942
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylsulfanylphosphoryl]benzene
CID 132512875
[(E)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethenyl]benzene
CID 121493806

Frequently Asked Questions

What is the IUPAC name of [cyclohexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene?
The IUPAC name of [cyclohexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene (CID 139080801) is [cyclohexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene.
What is the SMILES notation for [cyclohexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene?
The canonical SMILES for [cyclohexyl-[(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)(c1ccccc1)C1CCCCC1.
What is the InChIKey of [cyclohexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene?
The InChIKey is ZKLTZXOMXBXGHF-LALUYCJQSA-N. The full InChI is InChI=1S/C22H35O2P/c1-17(2)21-15-14-18(3)16-22(21)24-25(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4,6-7,10-11,17-18,20-22H,5,8-9,12-16H2,1-3H3/t18-,21+,22-,25-/m1/s1.
What are the key properties of [cyclohexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene?
[cyclohexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene has a molecular weight of 362.49 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene is sourced from PubChem (CID 139080801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).