butyl-(4-butylphenyl)-cyclohexylphosphane

C20H33P — CID 90108385

IUPACbutyl-(4-butylphenyl)-cyclohexylphosphane
SMILESCCCCc1ccc(P(CCCC)C2CCCCC2)cc1
InChIInChI=1S/C20H33P/c1-3-5-10-18-13-15-20(16-14-18)21(17-6-4-2)19-11-8-7-9-12-19/h13-16,19H,3-12,17H2,1-2H3
InChIKeyWOCJTONZNBCBQL-UHFFFAOYSA-N
MW304.46 g/mol
LogP6.27
Rot. Bonds8

About butyl-(4-butylphenyl)-cyclohexylphosphane

butyl-(4-butylphenyl)-cyclohexylphosphane (PubChem CID 90108385) has the molecular formula C20H33P and a molecular weight of 304.46 g/mol. Its IUPAC name is butyl-(4-butylphenyl)-cyclohexylphosphane.

Molecular Properties

Compound Namebutyl-(4-butylphenyl)-cyclohexylphosphane
PubChem CID90108385
Molecular FormulaC20H33P
Molecular Weight304.46 g/mol
Exact Mass304.23
IUPAC Namebutyl-(4-butylphenyl)-cyclohexylphosphane
SMILESCCCCc1ccc(P(CCCC)C2CCCCC2)cc1
InChIInChI=1S/C20H33P/c1-3-5-10-18-13-15-20(16-14-18)21(17-6-4-2)19-11-8-7-9-12-19/h13-16,19H,3-12,17H2,1-2H3
InChIKeyWOCJTONZNBCBQL-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.46
LogP ≤ 56.27
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

(4-butylphenyl)-ethyl-hexylphosphane
CID 90109509
N-[(4-butylphenyl)methyl]cyclohexanamine
CID 70837938
butyl-cyclopentyl-methylphosphane
CID 155308845
1-cyclopentylsulfonyl-4-pentylbenzene
CID 173140440
1-butyl-4-nonylbenzene
CID 59545302
1-N,2-N-bis[(4-butylphenyl)methyl]cyclohexane-1,2-diamine
CID 51040392
cyclohexyl-ethyl-octylphosphane
CID 90109221
1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65018164
dichloro-(4-dodecylphenyl)phosphane
CID 19011054
1-(4-butylphenyl)-N'-cyclohexylmethanediamine
CID 175117275
1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene
CID 63431518
cyclopentyl-(4-pentylphenyl)methanone
CID 146007805

Frequently Asked Questions

What is the IUPAC name of butyl-(4-butylphenyl)-cyclohexylphosphane?
The IUPAC name of butyl-(4-butylphenyl)-cyclohexylphosphane (CID 90108385) is butyl-(4-butylphenyl)-cyclohexylphosphane.
What is the SMILES notation for butyl-(4-butylphenyl)-cyclohexylphosphane?
The canonical SMILES for butyl-(4-butylphenyl)-cyclohexylphosphane is CCCCc1ccc(P(CCCC)C2CCCCC2)cc1.
What is the InChIKey of butyl-(4-butylphenyl)-cyclohexylphosphane?
The InChIKey is WOCJTONZNBCBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33P/c1-3-5-10-18-13-15-20(16-14-18)21(17-6-4-2)19-11-8-7-9-12-19/h13-16,19H,3-12,17H2,1-2H3.
What are the key properties of butyl-(4-butylphenyl)-cyclohexylphosphane?
butyl-(4-butylphenyl)-cyclohexylphosphane has a molecular weight of 304.46 g/mol, XLogP of 6.27, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(4-butylphenyl)-cyclohexylphosphane is sourced from PubChem (CID 90108385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).