cyclohexyl-propyl-(2,3,4-trimethylphenyl)phosphane

C18H29P — CID 90108684

IUPACcyclohexyl-propyl-(2,3,4-trimethylphenyl)phosphane
SMILESCCCP(c1ccc(C)c(C)c1C)C1CCCCC1
InChIInChI=1S/C18H29P/c1-5-13-19(17-9-7-6-8-10-17)18-12-11-14(2)15(3)16(18)4/h11-12,17H,5-10,13H2,1-4H3
InChIKeyIQZZTVFZNFLCET-UHFFFAOYSA-N
MW276.40 g/mol
LogP5.46
Rot. Bonds4

About cyclohexyl-propyl-(2,3,4-trimethylphenyl)phosphane

cyclohexyl-propyl-(2,3,4-trimethylphenyl)phosphane (PubChem CID 90108684) has the molecular formula C18H29P and a molecular weight of 276.40 g/mol. Its IUPAC name is cyclohexyl-propyl-(2,3,4-trimethylphenyl)phosphane.

Molecular Properties

Compound Namecyclohexyl-propyl-(2,3,4-trimethylphenyl)phosphane
PubChem CID90108684
Molecular FormulaC18H29P
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Namecyclohexyl-propyl-(2,3,4-trimethylphenyl)phosphane
SMILESCCCP(c1ccc(C)c(C)c1C)C1CCCCC1
InChIInChI=1S/C18H29P/c1-5-13-19(17-9-7-6-8-10-17)18-12-11-14(2)15(3)16(18)4/h11-12,17H,5-10,13H2,1-4H3
InChIKeyIQZZTVFZNFLCET-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.40
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclohexyl-propyl-(2,3,4-trimethylphenyl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-propyl-(2,3,4-trimethylphenyl)phosphane?
The IUPAC name of cyclohexyl-propyl-(2,3,4-trimethylphenyl)phosphane (CID 90108684) is cyclohexyl-propyl-(2,3,4-trimethylphenyl)phosphane.
What is the SMILES notation for cyclohexyl-propyl-(2,3,4-trimethylphenyl)phosphane?
The canonical SMILES for cyclohexyl-propyl-(2,3,4-trimethylphenyl)phosphane is CCCP(c1ccc(C)c(C)c1C)C1CCCCC1.
What is the InChIKey of cyclohexyl-propyl-(2,3,4-trimethylphenyl)phosphane?
The InChIKey is IQZZTVFZNFLCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29P/c1-5-13-19(17-9-7-6-8-10-17)18-12-11-14(2)15(3)16(18)4/h11-12,17H,5-10,13H2,1-4H3.
What are the key properties of cyclohexyl-propyl-(2,3,4-trimethylphenyl)phosphane?
cyclohexyl-propyl-(2,3,4-trimethylphenyl)phosphane has a molecular weight of 276.40 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-propyl-(2,3,4-trimethylphenyl)phosphane is sourced from PubChem (CID 90108684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).