3,4-dimethyl-2,5-bis(2-methylprop-1-enyl)-1H-phosphole

C14H21P — CID 132505963

IUPAC3,4-dimethyl-2,5-bis(2-methylprop-1-enyl)-1H-phosphole
SMILESCC(C)=Cc1[pH]c(C=C(C)C)c(C)c1C
InChIInChI=1S/C14H21P/c1-9(2)7-13-11(5)12(6)14(15-13)8-10(3)4/h7-8,15H,1-6H3
InChIKeyGLKSKJLBEFLJQT-UHFFFAOYSA-N
MW220.30 g/mol
LogP5.18
Rot. Bonds2

About 3,4-dimethyl-2,5-bis(2-methylprop-1-enyl)-1H-phosphole

3,4-dimethyl-2,5-bis(2-methylprop-1-enyl)-1H-phosphole (PubChem CID 132505963) has the molecular formula C14H21P and a molecular weight of 220.30 g/mol. Its IUPAC name is 3,4-dimethyl-2,5-bis(2-methylprop-1-enyl)-1H-phosphole.

Molecular Properties

Compound Name3,4-dimethyl-2,5-bis(2-methylprop-1-enyl)-1H-phosphole
PubChem CID132505963
Molecular FormulaC14H21P
Molecular Weight220.30 g/mol
Exact Mass220.14
IUPAC Name3,4-dimethyl-2,5-bis(2-methylprop-1-enyl)-1H-phosphole
SMILESCC(C)=Cc1[pH]c(C=C(C)C)c(C)c1C
InChIInChI=1S/C14H21P/c1-9(2)7-13-11(5)12(6)14(15-13)8-10(3)4/h7-8,15H,1-6H3
InChIKeyGLKSKJLBEFLJQT-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.30
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,4-dimethyl-2,5-bis(2-methylprop-1-enyl)-1H-phosphole 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 3,4-dimethyl-2,5-bis(2-methylprop-1-enyl)-1H-phosphole?
The IUPAC name of 3,4-dimethyl-2,5-bis(2-methylprop-1-enyl)-1H-phosphole (CID 132505963) is 3,4-dimethyl-2,5-bis(2-methylprop-1-enyl)-1H-phosphole.
What is the SMILES notation for 3,4-dimethyl-2,5-bis(2-methylprop-1-enyl)-1H-phosphole?
The canonical SMILES for 3,4-dimethyl-2,5-bis(2-methylprop-1-enyl)-1H-phosphole is CC(C)=Cc1[pH]c(C=C(C)C)c(C)c1C.
What is the InChIKey of 3,4-dimethyl-2,5-bis(2-methylprop-1-enyl)-1H-phosphole?
The InChIKey is GLKSKJLBEFLJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21P/c1-9(2)7-13-11(5)12(6)14(15-13)8-10(3)4/h7-8,15H,1-6H3.
What are the key properties of 3,4-dimethyl-2,5-bis(2-methylprop-1-enyl)-1H-phosphole?
3,4-dimethyl-2,5-bis(2-methylprop-1-enyl)-1H-phosphole has a molecular weight of 220.30 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,5-bis(2-methylprop-1-enyl)-1H-phosphole is sourced from PubChem (CID 132505963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).