(1S,6R)-9-ethyl-9-phenyl-9-phosphoniabicyclo[4.2.1]nonane iodide

C16H24IP — CID 10452015

IUPAC(1S,6R)-9-ethyl-9-phenyl-9-phosphoniabicyclo[4.2.1]nonane iodide
SMILESCC[P+]1(c2ccccc2)[C@@H]2CCCC[C@H]1CC2.[I-]
InChIInChI=1S/C16H24P.HI/c1-2-17(14-8-4-3-5-9-14)15-10-6-7-11-16(17)13-12-15;/h3-5,8-9,15-16H,2,6-7,10-13H2,1H3;1H/q+1;/p-1/t15-,16+,17?;
InChIKeyHSMYFPCTMMCBIS-NDRUTXPUSA-M
MW374.25 g/mol
LogP1.46
Rot. Bonds2

About (1S,6R)-9-ethyl-9-phenyl-9-phosphoniabicyclo[4.2.1]nonane iodide

(1S,6R)-9-ethyl-9-phenyl-9-phosphoniabicyclo[4.2.1]nonane iodide (PubChem CID 10452015) has the molecular formula C16H24IP and a molecular weight of 374.25 g/mol. Its IUPAC name is (1S,6R)-9-ethyl-9-phenyl-9-phosphoniabicyclo[4.2.1]nonane iodide.

Molecular Properties

Compound Name(1S,6R)-9-ethyl-9-phenyl-9-phosphoniabicyclo[4.2.1]nonane iodide
PubChem CID10452015
Molecular FormulaC16H24IP
Molecular Weight374.25 g/mol
Exact Mass374.07
IUPAC Name(1S,6R)-9-ethyl-9-phenyl-9-phosphoniabicyclo[4.2.1]nonane iodide
SMILESCC[P+]1(c2ccccc2)[C@@H]2CCCC[C@H]1CC2.[I-]
InChIInChI=1S/C16H24P.HI/c1-2-17(14-8-4-3-5-9-14)15-10-6-7-11-16(17)13-12-15;/h3-5,8-9,15-16H,2,6-7,10-13H2,1H3;1H/q+1;/p-1/t15-,16+,17?;
InChIKeyHSMYFPCTMMCBIS-NDRUTXPUSA-M
XLogP1.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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N-ethyl-N-[iodo(triphenyl)-lambda5-phosphanyl]cyclohexanamine
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[(E,2S)-4-cyclohexyl-2-methylbut-3-enyl]benzene
CID 11138907
N-cyclopentyloxy-1-phenylpropan-1-amine
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cyclodecyl(triphenyl)phosphanium
CID 156526903

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-9-ethyl-9-phenyl-9-phosphoniabicyclo[4.2.1]nonane iodide?
The IUPAC name of (1S,6R)-9-ethyl-9-phenyl-9-phosphoniabicyclo[4.2.1]nonane iodide (CID 10452015) is (1S,6R)-9-ethyl-9-phenyl-9-phosphoniabicyclo[4.2.1]nonane iodide.
What is the SMILES notation for (1S,6R)-9-ethyl-9-phenyl-9-phosphoniabicyclo[4.2.1]nonane iodide?
The canonical SMILES for (1S,6R)-9-ethyl-9-phenyl-9-phosphoniabicyclo[4.2.1]nonane iodide is CC[P+]1(c2ccccc2)[C@@H]2CCCC[C@H]1CC2.[I-].
What is the InChIKey of (1S,6R)-9-ethyl-9-phenyl-9-phosphoniabicyclo[4.2.1]nonane iodide?
The InChIKey is HSMYFPCTMMCBIS-NDRUTXPUSA-M. The full InChI is InChI=1S/C16H24P.HI/c1-2-17(14-8-4-3-5-9-14)15-10-6-7-11-16(17)13-12-15;/h3-5,8-9,15-16H,2,6-7,10-13H2,1H3;1H/q+1;/p-1/t15-,16+,17?;.
What are the key properties of (1S,6R)-9-ethyl-9-phenyl-9-phosphoniabicyclo[4.2.1]nonane iodide?
(1S,6R)-9-ethyl-9-phenyl-9-phosphoniabicyclo[4.2.1]nonane iodide has a molecular weight of 374.25 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-9-ethyl-9-phenyl-9-phosphoniabicyclo[4.2.1]nonane iodide is sourced from PubChem (CID 10452015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).