dicyclohexyl(3-cyclopenta-2,4-dien-1-ylpropyl)phosphane

C20H33P — CID 101105057

IUPACdicyclohexyl(3-cyclopenta-2,4-dien-1-ylpropyl)phosphane
SMILESC1=CC(CCCP(C2CCCCC2)C2CCCCC2)C=C1
InChIInChI=1S/C20H33P/c1-3-13-19(14-4-1)21(20-15-5-2-6-16-20)17-9-12-18-10-7-8-11-18/h7-8,10-11,18-20H,1-6,9,12-17H2
InChIKeyAVXOUZULWUCYMZ-UHFFFAOYSA-N
MW304.46 g/mol
LogP6.66
Rot. Bonds6

About dicyclohexyl(3-cyclopenta-2,4-dien-1-ylpropyl)phosphane

dicyclohexyl(3-cyclopenta-2,4-dien-1-ylpropyl)phosphane (PubChem CID 101105057) has the molecular formula C20H33P and a molecular weight of 304.46 g/mol. Its IUPAC name is dicyclohexyl(3-cyclopenta-2,4-dien-1-ylpropyl)phosphane.

Molecular Properties

Compound Namedicyclohexyl(3-cyclopenta-2,4-dien-1-ylpropyl)phosphane
PubChem CID101105057
Molecular FormulaC20H33P
Molecular Weight304.46 g/mol
Exact Mass304.23
IUPAC Namedicyclohexyl(3-cyclopenta-2,4-dien-1-ylpropyl)phosphane
SMILESC1=CC(CCCP(C2CCCCC2)C2CCCCC2)C=C1
InChIInChI=1S/C20H33P/c1-3-13-19(14-4-1)21(20-15-5-2-6-16-20)17-9-12-18-10-7-8-11-18/h7-8,10-11,18-20H,1-6,9,12-17H2
InChIKeyAVXOUZULWUCYMZ-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.46
LogP ≤ 56.66
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

dicyclohexyl(6-phosphanylhexyl)phosphane
CID 151871346
dicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane
CID 90108196
3-dicyclohexylphosphanylpropan-1-amine
CID 68903820
di(cyclobutyl)-octylphosphane
CID 151646814
2-dicyclohexylphosphanylethanol
CID 154117829
2-dicyclohexylphosphanylethanamine
CID 77068327
dicyclohexyl-(1-cyclopenta-2,4-dien-1-yl-2-dicyclohexylphosphanylethyl)phosphane
CID 87987244
cyclohexyl-[4-[cyclohexyl(methyl)phosphanyl]butyl]-methylphosphane
CID 90057473
5-undecylcyclopenta-1,3-diene
CID 141280590
chloro(dihydrido)iridium;bis(2-dicyclohexylphosphanyl-N-(2-dicyclohexylphosphanylethyl)ethanamine)
CID 158559176
dicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane
CID 143925195
chloroplatinum(1+);dicyclohexyl(2-dicyclohexylphosphanylethyl)phosphane;2-methanidyl-2-methylpropane
CID 15830283

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl(3-cyclopenta-2,4-dien-1-ylpropyl)phosphane?
The IUPAC name of dicyclohexyl(3-cyclopenta-2,4-dien-1-ylpropyl)phosphane (CID 101105057) is dicyclohexyl(3-cyclopenta-2,4-dien-1-ylpropyl)phosphane.
What is the SMILES notation for dicyclohexyl(3-cyclopenta-2,4-dien-1-ylpropyl)phosphane?
The canonical SMILES for dicyclohexyl(3-cyclopenta-2,4-dien-1-ylpropyl)phosphane is C1=CC(CCCP(C2CCCCC2)C2CCCCC2)C=C1.
What is the InChIKey of dicyclohexyl(3-cyclopenta-2,4-dien-1-ylpropyl)phosphane?
The InChIKey is AVXOUZULWUCYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33P/c1-3-13-19(14-4-1)21(20-15-5-2-6-16-20)17-9-12-18-10-7-8-11-18/h7-8,10-11,18-20H,1-6,9,12-17H2.
What are the key properties of dicyclohexyl(3-cyclopenta-2,4-dien-1-ylpropyl)phosphane?
dicyclohexyl(3-cyclopenta-2,4-dien-1-ylpropyl)phosphane has a molecular weight of 304.46 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl(3-cyclopenta-2,4-dien-1-ylpropyl)phosphane is sourced from PubChem (CID 101105057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).