butyl-(1-cyclohexyl-2-methylpropan-2-yl)-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]phosphane

C24H45P — CID 170235204

IUPACbutyl-(1-cyclohexyl-2-methylpropan-2-yl)-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]phosphane
SMILESCCCCP(C(C)(C)CC1CCCCC1)C1(C)C[C@@H]2CCC[C@@H](C2)C1
InChIInChI=1S/C24H45P/c1-5-6-15-25(23(2,3)17-20-11-8-7-9-12-20)24(4)18-21-13-10-14-22(16-21)19-24/h20-22H,5-19H2,1-4H3/t21-,22+,24?,25?
InChIKeyRENXXHBGVBWMRT-QHSWPGFUSA-N
MW364.60 g/mol
LogP8.38
Rot. Bonds7

About butyl-(1-cyclohexyl-2-methylpropan-2-yl)-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]phosphane

butyl-(1-cyclohexyl-2-methylpropan-2-yl)-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]phosphane (PubChem CID 170235204) has the molecular formula C24H45P and a molecular weight of 364.60 g/mol. Its IUPAC name is butyl-(1-cyclohexyl-2-methylpropan-2-yl)-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]phosphane.

Molecular Properties

Compound Namebutyl-(1-cyclohexyl-2-methylpropan-2-yl)-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]phosphane
PubChem CID170235204
Molecular FormulaC24H45P
Molecular Weight364.60 g/mol
Exact Mass364.33
IUPAC Namebutyl-(1-cyclohexyl-2-methylpropan-2-yl)-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]phosphane
SMILESCCCCP(C(C)(C)CC1CCCCC1)C1(C)C[C@@H]2CCC[C@@H](C2)C1
InChIInChI=1S/C24H45P/c1-5-6-15-25(23(2,3)17-20-11-8-7-9-12-20)24(4)18-21-13-10-14-22(16-21)19-24/h20-22H,5-19H2,1-4H3/t21-,22+,24?,25?
InChIKeyRENXXHBGVBWMRT-QHSWPGFUSA-N
XLogP8.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.60
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze butyl-(1-cyclohexyl-2-methylpropan-2-yl)-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]phosphane with MolForge

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Related Compounds

1-adamantyl-butyl-[(5R)-3-ethyl-3-bicyclo[3.3.1]nonanyl]phosphane
CID 122694035
cyclopentane;2,2-dimethylbutylcyclopentane;propane
CID 162289353
1-butyl-5-cyclohexylcyclopentadecane
CID 58552501
carbonyl dichloride;pentylcyclohexane
CID 19977556
1-[1-(3-butylcyclohexyl)cyclooctyl]adamantane
CID 19870057
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
8-(2,2-dimethylpropyl)bicyclo[4.3.1]decane
CID 140778092
tetradecylcyclododecane
CID 169026037
1-cyclohexyl-2,2-dimethylheptan-3-ol
CID 23080935
bis(1-adamantyl)-butylphosphane;hydrobromide
CID 153370159

Frequently Asked Questions

What is the IUPAC name of butyl-(1-cyclohexyl-2-methylpropan-2-yl)-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]phosphane?
The IUPAC name of butyl-(1-cyclohexyl-2-methylpropan-2-yl)-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]phosphane (CID 170235204) is butyl-(1-cyclohexyl-2-methylpropan-2-yl)-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]phosphane.
What is the SMILES notation for butyl-(1-cyclohexyl-2-methylpropan-2-yl)-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]phosphane?
The canonical SMILES for butyl-(1-cyclohexyl-2-methylpropan-2-yl)-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]phosphane is CCCCP(C(C)(C)CC1CCCCC1)C1(C)C[C@@H]2CCC[C@@H](C2)C1.
What is the InChIKey of butyl-(1-cyclohexyl-2-methylpropan-2-yl)-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]phosphane?
The InChIKey is RENXXHBGVBWMRT-QHSWPGFUSA-N. The full InChI is InChI=1S/C24H45P/c1-5-6-15-25(23(2,3)17-20-11-8-7-9-12-20)24(4)18-21-13-10-14-22(16-21)19-24/h20-22H,5-19H2,1-4H3/t21-,22+,24?,25?.
What are the key properties of butyl-(1-cyclohexyl-2-methylpropan-2-yl)-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]phosphane?
butyl-(1-cyclohexyl-2-methylpropan-2-yl)-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]phosphane has a molecular weight of 364.60 g/mol, XLogP of 8.38, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(1-cyclohexyl-2-methylpropan-2-yl)-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]phosphane is sourced from PubChem (CID 170235204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).