ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane

C27H48P2 — CID 71310500

IUPACditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
SMILESC[C@H](C1C=CC=C1P(C1CCCCC1)C1CCCCC1)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C27H48P2/c1-21(29(26(2,3)4)27(5,6)7)24-19-14-20-25(24)28(22-15-10-8-11-16-22)23-17-12-9-13-18-23/h14,19-24H,8-13,15-18H2,1-7H3/t21-,24?/m1/s1
InChIKeyIPERZDCUOKFYQU-CILPGNKCSA-N
MW434.63 g/mol
LogP9.67
Rot. Bonds5

About ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane

ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane (PubChem CID 71310500) has the molecular formula C27H48P2 and a molecular weight of 434.63 g/mol. Its IUPAC name is ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
PubChem CID71310500
Molecular FormulaC27H48P2
Molecular Weight434.63 g/mol
Exact Mass434.32
IUPAC Nameditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
SMILESC[C@H](C1C=CC=C1P(C1CCCCC1)C1CCCCC1)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C27H48P2/c1-21(29(26(2,3)4)27(5,6)7)24-19-14-20-25(24)28(22-15-10-8-11-16-22)23-17-12-9-13-18-23/h14,19-24H,8-13,15-18H2,1-7H3/t21-,24?/m1/s1
InChIKeyIPERZDCUOKFYQU-CILPGNKCSA-N
XLogP9.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.63
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
The IUPAC name of ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane (CID 71310500) is ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane.
What is the SMILES notation for ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
The canonical SMILES for ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane is C[C@H](C1C=CC=C1P(C1CCCCC1)C1CCCCC1)P(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
The InChIKey is IPERZDCUOKFYQU-CILPGNKCSA-N. The full InChI is InChI=1S/C27H48P2/c1-21(29(26(2,3)4)27(5,6)7)24-19-14-20-25(24)28(22-15-10-8-11-16-22)23-17-12-9-13-18-23/h14,19-24H,8-13,15-18H2,1-7H3/t21-,24?/m1/s1.
What are the key properties of ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane?
ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane has a molecular weight of 434.63 g/mol, XLogP of 9.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane is sourced from PubChem (CID 71310500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).