2-[3-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-1H-inden-1-yl]ethyl-diphenylphosphane

C33H39P — CID 101086420

IUPAC2-[3-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-1H-inden-1-yl]ethyl-diphenylphosphane
SMILESCC(C)[C@H]1CC[C@H](C)C[C@H]1C1=CC(CCP(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C33H39P/c1-24(2)29-19-18-25(3)22-32(29)33-23-26(30-16-10-11-17-31(30)33)20-21-34(27-12-6-4-7-13-27)28-14-8-5-9-15-28/h4-17,23-26,29,32H,18-22H2,1-3H3/t25-,26?,29+,32+/m0/s1
InChIKeySIJMIAFLFYYAOD-IULRIDQPSA-N
MW466.65 g/mol
LogP8.40
Rot. Bonds7

About 2-[3-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-1H-inden-1-yl]ethyl-diphenylphosphane

2-[3-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-1H-inden-1-yl]ethyl-diphenylphosphane (PubChem CID 101086420) has the molecular formula C33H39P and a molecular weight of 466.65 g/mol. Its IUPAC name is 2-[3-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-1H-inden-1-yl]ethyl-diphenylphosphane.

Molecular Properties

Compound Name2-[3-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-1H-inden-1-yl]ethyl-diphenylphosphane
PubChem CID101086420
Molecular FormulaC33H39P
Molecular Weight466.65 g/mol
Exact Mass466.28
IUPAC Name2-[3-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-1H-inden-1-yl]ethyl-diphenylphosphane
SMILESCC(C)[C@H]1CC[C@H](C)C[C@H]1C1=CC(CCP(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C33H39P/c1-24(2)29-19-18-25(3)22-32(29)33-23-26(30-16-10-11-17-31(30)33)20-21-34(27-12-6-4-7-13-27)28-14-8-5-9-15-28/h4-17,23-26,29,32H,18-22H2,1-3H3/t25-,26?,29+,32+/m0/s1
InChIKeySIJMIAFLFYYAOD-IULRIDQPSA-N
XLogP8.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.65
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1H-inden-1-yl]ethyl-diphenylphosphane
CID 101086421
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 98053481
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 2734569
4-methyl-2-[5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-ylcyclohexane
CID 88632745
[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]methyl-diphenylphosphane
CID 101367033
benzyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)phosphane
CID 562813
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[(2-methoxyphenyl)-phenylphosphanyl]acetate
CID 154718116
2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)propanoic acid;2-(5-methyl-2-propan-2-ylcyclohexyl)benzoic acid
CID 69121792
bis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium
CID 88798842
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]quinoline
CID 122214686
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfanylmethylbenzene
CID 100954560
[2-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate
CID 67635828

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-1H-inden-1-yl]ethyl-diphenylphosphane?
The IUPAC name of 2-[3-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-1H-inden-1-yl]ethyl-diphenylphosphane (CID 101086420) is 2-[3-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-1H-inden-1-yl]ethyl-diphenylphosphane.
What is the SMILES notation for 2-[3-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-1H-inden-1-yl]ethyl-diphenylphosphane?
The canonical SMILES for 2-[3-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-1H-inden-1-yl]ethyl-diphenylphosphane is CC(C)[C@H]1CC[C@H](C)C[C@H]1C1=CC(CCP(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[3-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-1H-inden-1-yl]ethyl-diphenylphosphane?
The InChIKey is SIJMIAFLFYYAOD-IULRIDQPSA-N. The full InChI is InChI=1S/C33H39P/c1-24(2)29-19-18-25(3)22-32(29)33-23-26(30-16-10-11-17-31(30)33)20-21-34(27-12-6-4-7-13-27)28-14-8-5-9-15-28/h4-17,23-26,29,32H,18-22H2,1-3H3/t25-,26?,29+,32+/m0/s1.
What are the key properties of 2-[3-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-1H-inden-1-yl]ethyl-diphenylphosphane?
2-[3-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-1H-inden-1-yl]ethyl-diphenylphosphane has a molecular weight of 466.65 g/mol, XLogP of 8.40, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-1H-inden-1-yl]ethyl-diphenylphosphane is sourced from PubChem (CID 101086420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).