bis[(1S)-1-cyclopentylethyl]-phenylphosphane

C20H31P — CID 59045088

IUPACbis[(1S)-1-cyclopentylethyl]-phenylphosphane
SMILESC[C@@H](C1CCCC1)P(c1ccccc1)[C@@H](C)C1CCCC1
InChIInChI=1S/C20H31P/c1-16(18-10-6-7-11-18)21(20-14-4-3-5-15-20)17(2)19-12-8-9-13-19/h3-5,14-19H,6-13H2,1-2H3/t16-,17-/m0/s1
InChIKeyWPDXYQPGYIEQIG-IRXDYDNUSA-N
MW302.44 g/mol
LogP5.95
Rot. Bonds5

About bis[(1S)-1-cyclopentylethyl]-phenylphosphane

bis[(1S)-1-cyclopentylethyl]-phenylphosphane (PubChem CID 59045088) has the molecular formula C20H31P and a molecular weight of 302.44 g/mol. Its IUPAC name is bis[(1S)-1-cyclopentylethyl]-phenylphosphane.

Molecular Properties

Compound Namebis[(1S)-1-cyclopentylethyl]-phenylphosphane
PubChem CID59045088
Molecular FormulaC20H31P
Molecular Weight302.44 g/mol
Exact Mass302.22
IUPAC Namebis[(1S)-1-cyclopentylethyl]-phenylphosphane
SMILESC[C@@H](C1CCCC1)P(c1ccccc1)[C@@H](C)C1CCCC1
InChIInChI=1S/C20H31P/c1-16(18-10-6-7-11-18)21(20-14-4-3-5-15-20)17(2)19-12-8-9-13-19/h3-5,14-19H,6-13H2,1-2H3/t16-,17-/m0/s1
InChIKeyWPDXYQPGYIEQIG-IRXDYDNUSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.44
LogP ≤ 55.95
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

1-[2-(1-diphenylphosphanylethyl)cyclopentyl]ethyl-diphenylphosphane
CID 23403232
3-cyclohexylbutyl(diphenyl)phosphane
CID 53471136
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
(2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 134997515
cyclopentyl-methyl-diphenylphosphanium
CID 23413005
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
carbon monoxide;chromium;(R)-cyclohexyl-methyl-phenylphosphane
CID 134976520
benzene;propan-2-ylcyclohexane
CID 163364158
1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine
CID 171935004
(1R,2R,3R)-1-cyclohexyl-2-methyl-3-phenylpropane-1,3-diol
CID 101021002
2-cycloheptyl-1-phenylpropan-1-one
CID 104844954
N-(1-cyclobutylethyl)aniline
CID 58933203

Frequently Asked Questions

What is the IUPAC name of bis[(1S)-1-cyclopentylethyl]-phenylphosphane?
The IUPAC name of bis[(1S)-1-cyclopentylethyl]-phenylphosphane (CID 59045088) is bis[(1S)-1-cyclopentylethyl]-phenylphosphane.
What is the SMILES notation for bis[(1S)-1-cyclopentylethyl]-phenylphosphane?
The canonical SMILES for bis[(1S)-1-cyclopentylethyl]-phenylphosphane is C[C@@H](C1CCCC1)P(c1ccccc1)[C@@H](C)C1CCCC1.
What is the InChIKey of bis[(1S)-1-cyclopentylethyl]-phenylphosphane?
The InChIKey is WPDXYQPGYIEQIG-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H31P/c1-16(18-10-6-7-11-18)21(20-14-4-3-5-15-20)17(2)19-12-8-9-13-19/h3-5,14-19H,6-13H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of bis[(1S)-1-cyclopentylethyl]-phenylphosphane?
bis[(1S)-1-cyclopentylethyl]-phenylphosphane has a molecular weight of 302.44 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(1S)-1-cyclopentylethyl]-phenylphosphane is sourced from PubChem (CID 59045088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).