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

C21H33O2P — CID 11617205

IUPAC[cyclopentyl-[(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)C1CCCC1
InChIInChI=1S/C21H33O2P/c1-16(2)20-14-13-17(3)15-21(20)23-24(22,19-11-7-8-12-19)18-9-5-4-6-10-18/h4-6,9-10,16-17,19-21H,7-8,11-15H2,1-3H3/t17-,20+,21-,24-/m1/s1
InChIKeyWWRYXJUHIZDBCI-CXEBNRJLSA-N
MW348.47 g/mol
LogP6.01
Rot. Bonds5

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

[cyclopentyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene (PubChem CID 11617205) has the molecular formula C21H33O2P and a molecular weight of 348.47 g/mol. Its IUPAC name is [cyclopentyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene.

Molecular Properties

Compound Name[cyclopentyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
PubChem CID11617205
Molecular FormulaC21H33O2P
Molecular Weight348.47 g/mol
Exact Mass348.22
IUPAC Name[cyclopentyl-[(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)C1CCCC1
InChIInChI=1S/C21H33O2P/c1-16(2)20-14-13-17(3)15-21(20)23-24(22,19-11-7-8-12-19)18-9-5-4-6-10-18/h4-6,9-10,16-17,19-21H,7-8,11-15H2,1-3H3/t17-,20+,21-,24-/m1/s1
InChIKeyWWRYXJUHIZDBCI-CXEBNRJLSA-N
XLogP6.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.47
LogP ≤ 56.01
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

[cyclohexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
CID 139080801
[[(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
[ethenyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
CID 11702254
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
[[(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 [cyclopentyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene?
The IUPAC name of [cyclopentyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene (CID 11617205) is [cyclopentyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene.
What is the SMILES notation for [cyclopentyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene?
The canonical SMILES for [cyclopentyl-[(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)C1CCCC1.
What is the InChIKey of [cyclopentyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene?
The InChIKey is WWRYXJUHIZDBCI-CXEBNRJLSA-N. The full InChI is InChI=1S/C21H33O2P/c1-16(2)20-14-13-17(3)15-21(20)23-24(22,19-11-7-8-12-19)18-9-5-4-6-10-18/h4-6,9-10,16-17,19-21H,7-8,11-15H2,1-3H3/t17-,20+,21-,24-/m1/s1.
What are the key properties of [cyclopentyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene?
[cyclopentyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene has a molecular weight of 348.47 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopentyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene is sourced from PubChem (CID 11617205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).