[(1S)-1-(2-tert-butylphosphonoylcyclopentyl)ethyl]-diphenylphosphane

C23H32OP2 — CID 155884992

IUPAC[(1S)-1-(2-tert-butylphosphonoylcyclopentyl)ethyl]-diphenylphosphane
SMILESC[C@@H](C1CCCC1[P@@H](=O)C(C)(C)C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32OP2/c1-18(21-16-11-17-22(21)26(24)23(2,3)4)25(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,18,21-22,26H,11,16-17H2,1-4H3/t18-,21?,22?/m0/s1
InChIKeyHDNCVJGCYJZXTF-XTWGIRIWSA-N
MW386.46 g/mol
LogP6.03
Rot. Bonds5

About [(1S)-1-(2-tert-butylphosphonoylcyclopentyl)ethyl]-diphenylphosphane

[(1S)-1-(2-tert-butylphosphonoylcyclopentyl)ethyl]-diphenylphosphane (PubChem CID 155884992) has the molecular formula C23H32OP2 and a molecular weight of 386.46 g/mol. Its IUPAC name is [(1S)-1-(2-tert-butylphosphonoylcyclopentyl)ethyl]-diphenylphosphane.

Molecular Properties

Compound Name[(1S)-1-(2-tert-butylphosphonoylcyclopentyl)ethyl]-diphenylphosphane
PubChem CID155884992
Molecular FormulaC23H32OP2
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name[(1S)-1-(2-tert-butylphosphonoylcyclopentyl)ethyl]-diphenylphosphane
SMILESC[C@@H](C1CCCC1[P@@H](=O)C(C)(C)C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32OP2/c1-18(21-16-11-17-22(21)26(24)23(2,3)4)25(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,18,21-22,26H,11,16-17H2,1-4H3/t18-,21?,22?/m0/s1
InChIKeyHDNCVJGCYJZXTF-XTWGIRIWSA-N
XLogP6.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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
cyclopentane;ditert-butyl-[(1R)-1-(2-phenylphosphonoylcyclopentyl)ethyl]phosphane;iron
CID 155884987
[(1S)-1-[(1R,2R)-2-diphenylphosphanylcyclopentyl]ethyl]-diphenylphosphane
CID 141093024
cyclopentane;dicyclohexyl-[2-(1-diphenylphosphanylethyl)cyclopentyl]phosphane;iron
CID 155887361
cyclopentane;ditert-butyl-[1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 91663083
cyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 117061916
[(1S)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]-2-methylpropyl]-diphenylphosphane
CID 11698892
1-[3-(1-diphenylphosphanylethyl)-1,4-diazabicyclo[2.2.2]octan-2-yl]ethyl-diphenylphosphane
CID 23403259
(1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine
CID 90131117
[(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane
CID 140562071
[(1S,2S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane
CID 166703176
[(1S,2R)-2-[(1S)-1-diphenylphosphanyl-2-methylpropyl]cyclopentyl] methanesulfonate
CID 11502314

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-tert-butylphosphonoylcyclopentyl)ethyl]-diphenylphosphane?
The IUPAC name of [(1S)-1-(2-tert-butylphosphonoylcyclopentyl)ethyl]-diphenylphosphane (CID 155884992) is [(1S)-1-(2-tert-butylphosphonoylcyclopentyl)ethyl]-diphenylphosphane.
What is the SMILES notation for [(1S)-1-(2-tert-butylphosphonoylcyclopentyl)ethyl]-diphenylphosphane?
The canonical SMILES for [(1S)-1-(2-tert-butylphosphonoylcyclopentyl)ethyl]-diphenylphosphane is C[C@@H](C1CCCC1[P@@H](=O)C(C)(C)C)P(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S)-1-(2-tert-butylphosphonoylcyclopentyl)ethyl]-diphenylphosphane?
The InChIKey is HDNCVJGCYJZXTF-XTWGIRIWSA-N. The full InChI is InChI=1S/C23H32OP2/c1-18(21-16-11-17-22(21)26(24)23(2,3)4)25(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,18,21-22,26H,11,16-17H2,1-4H3/t18-,21?,22?/m0/s1.
What are the key properties of [(1S)-1-(2-tert-butylphosphonoylcyclopentyl)ethyl]-diphenylphosphane?
[(1S)-1-(2-tert-butylphosphonoylcyclopentyl)ethyl]-diphenylphosphane has a molecular weight of 386.46 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-tert-butylphosphonoylcyclopentyl)ethyl]-diphenylphosphane is sourced from PubChem (CID 155884992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).