[(2R)-2-benzyl-1-ethylcyclopentyl]-diphenylphosphane

C26H29P — CID 138723539

IUPAC[(2R)-2-benzyl-1-ethylcyclopentyl]-diphenylphosphane
SMILESCCC1(P(c2ccccc2)c2ccccc2)CCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C26H29P/c1-2-26(20-12-15-23(26)21-22-13-6-3-7-14-22)27(24-16-8-4-9-17-24)25-18-10-5-11-19-25/h3-11,13-14,16-19,23H,2,12,15,20-21H2,1H3/t23-,26?/m1/s1
InChIKeyIERJHNUGVWRTPY-GEPVFLLWSA-N
MW372.49 g/mol
LogP6.31
Rot. Bonds6

About [(2R)-2-benzyl-1-ethylcyclopentyl]-diphenylphosphane

[(2R)-2-benzyl-1-ethylcyclopentyl]-diphenylphosphane (PubChem CID 138723539) has the molecular formula C26H29P and a molecular weight of 372.49 g/mol. Its IUPAC name is [(2R)-2-benzyl-1-ethylcyclopentyl]-diphenylphosphane.

Molecular Properties

Compound Name[(2R)-2-benzyl-1-ethylcyclopentyl]-diphenylphosphane
PubChem CID138723539
Molecular FormulaC26H29P
Molecular Weight372.49 g/mol
Exact Mass372.20
IUPAC Name[(2R)-2-benzyl-1-ethylcyclopentyl]-diphenylphosphane
SMILESCCC1(P(c2ccccc2)c2ccccc2)CCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C26H29P/c1-2-26(20-12-15-23(26)21-22-13-6-3-7-14-22)27(24-16-8-4-9-17-24)25-18-10-5-11-19-25/h3-11,13-14,16-19,23H,2,12,15,20-21H2,1H3/t23-,26?/m1/s1
InChIKeyIERJHNUGVWRTPY-GEPVFLLWSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 56.31
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-benzyl-1-tert-butylcyclopentyl)methylbenzene
CID 173322340
[2-(2-benzyl-1-ethenylcyclohexyl)oxy-2-ethenylcyclohexyl]methylbenzene
CID 156540486
butane;cyclopentylmethylbenzene
CID 143522605
cis-(1R,2S)-2-benzyl-N-diphenylphosphanyl-N-phosphanylcyclohexan-1-amine
CID 129072832
1-(aminomethyl)-4-benzyl-N,N-dimethylcyclohexan-1-amine
CID 20527639
4-benzyl-6,9-diazaspiro[4.5]decan-7-one
CID 66671410
5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane
CID 79320491
1-benzyl-6-ethyl-2-azaspiro[4.5]decan-3-one
CID 66105478
cis-(1R,2S)-1-ethyl-2-[(4-octylphenyl)methyl]cyclopentan-1-amine
CID 59504295
3-benzyl-4-ethyl-4-(methoxymethyl)piperidine
CID 79321073
cyclopropylmethylbenzene;ethane;methane
CID 142248267
(2S)-2-benzylpyrrolidin-1-ium
CID 7009381

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-benzyl-1-ethylcyclopentyl]-diphenylphosphane?
The IUPAC name of [(2R)-2-benzyl-1-ethylcyclopentyl]-diphenylphosphane (CID 138723539) is [(2R)-2-benzyl-1-ethylcyclopentyl]-diphenylphosphane.
What is the SMILES notation for [(2R)-2-benzyl-1-ethylcyclopentyl]-diphenylphosphane?
The canonical SMILES for [(2R)-2-benzyl-1-ethylcyclopentyl]-diphenylphosphane is CCC1(P(c2ccccc2)c2ccccc2)CCC[C@@H]1Cc1ccccc1.
What is the InChIKey of [(2R)-2-benzyl-1-ethylcyclopentyl]-diphenylphosphane?
The InChIKey is IERJHNUGVWRTPY-GEPVFLLWSA-N. The full InChI is InChI=1S/C26H29P/c1-2-26(20-12-15-23(26)21-22-13-6-3-7-14-22)27(24-16-8-4-9-17-24)25-18-10-5-11-19-25/h3-11,13-14,16-19,23H,2,12,15,20-21H2,1H3/t23-,26?/m1/s1.
What are the key properties of [(2R)-2-benzyl-1-ethylcyclopentyl]-diphenylphosphane?
[(2R)-2-benzyl-1-ethylcyclopentyl]-diphenylphosphane has a molecular weight of 372.49 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-benzyl-1-ethylcyclopentyl]-diphenylphosphane is sourced from PubChem (CID 138723539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).