dicyclohexyl(hexa-2,4-dienyl)phosphane

C18H31P — CID 141408933

IUPACdicyclohexyl(hexa-2,4-dienyl)phosphane
SMILESCC=CC=CCP(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H31P/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h2-4,11,17-18H,5-10,12-16H2,1H3
InChIKeyRJZYJPKTQBPETQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP6.27
Rot. Bonds5

About dicyclohexyl(hexa-2,4-dienyl)phosphane

dicyclohexyl(hexa-2,4-dienyl)phosphane (PubChem CID 141408933) has the molecular formula C18H31P and a molecular weight of 278.42 g/mol. Its IUPAC name is dicyclohexyl(hexa-2,4-dienyl)phosphane.

Molecular Properties

Compound Namedicyclohexyl(hexa-2,4-dienyl)phosphane
PubChem CID141408933
Molecular FormulaC18H31P
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Namedicyclohexyl(hexa-2,4-dienyl)phosphane
SMILESCC=CC=CCP(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H31P/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h2-4,11,17-18H,5-10,12-16H2,1H3
InChIKeyRJZYJPKTQBPETQ-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.42
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dicyclohexyl(5-methylhex-2-enyl)phosphane
CID 141408948
dicyclohexyl(4-fluorobut-2-enyl)phosphane
CID 141408973
4-dicyclohexylphosphanyl-1-phenylbut-2-en-1-one tetrafluoroborate
CID 175273557
2-dicyclohexylphosphanylethanol
CID 154117829
2-dicyclohexylphosphanylethanamine
CID 77068327
2-methylbut-2-ene;tricyclohexylphosphane
CID 174792774
(E)-N-cyclohexylbut-2-en-1-imine oxide
CID 91998766
dichloropalladium;hexa-2,4-dienyl-di(propan-2-yl)phosphane
CID 174766996
N-[cyclohexyl(dimethylamino)phosphanyl]-N-methylmethanamine
CID 576684
ditert-butyl(hexa-2,4-dienyl)phosphane;dichloropalladium
CID 174766953
chloroplatinum(1+);dicyclohexyl(2-dicyclohexylphosphanylethyl)phosphane;2-methanidyl-2-methylpropane
CID 15830283
N-(dicyclohexylphosphanylmethyl)-N,2-dimethylpropan-2-amine
CID 134396516

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl(hexa-2,4-dienyl)phosphane?
The IUPAC name of dicyclohexyl(hexa-2,4-dienyl)phosphane (CID 141408933) is dicyclohexyl(hexa-2,4-dienyl)phosphane.
What is the SMILES notation for dicyclohexyl(hexa-2,4-dienyl)phosphane?
The canonical SMILES for dicyclohexyl(hexa-2,4-dienyl)phosphane is CC=CC=CCP(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl(hexa-2,4-dienyl)phosphane?
The InChIKey is RJZYJPKTQBPETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31P/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h2-4,11,17-18H,5-10,12-16H2,1H3.
What are the key properties of dicyclohexyl(hexa-2,4-dienyl)phosphane?
dicyclohexyl(hexa-2,4-dienyl)phosphane has a molecular weight of 278.42 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl(hexa-2,4-dienyl)phosphane is sourced from PubChem (CID 141408933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).