1-(2,5-dimethyl-4-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)ethenyl-methylphosphane

C13H19P — CID 167265671

IUPAC1-(2,5-dimethyl-4-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)ethenyl-methylphosphane
SMILESC=C(C)C1=CC(C)=C(C(=C)PC)C1C
InChIInChI=1S/C13H19P/c1-8(2)12-7-9(3)13(10(12)4)11(5)14-6/h7,10,14H,1,5H2,2-4,6H3
InChIKeyWMOAHFBZAWHYME-UHFFFAOYSA-N
MW206.27 g/mol
LogP4.28
Rot. Bonds3

About 1-(2,5-dimethyl-4-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)ethenyl-methylphosphane

1-(2,5-dimethyl-4-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)ethenyl-methylphosphane (PubChem CID 167265671) has the molecular formula C13H19P and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-(2,5-dimethyl-4-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)ethenyl-methylphosphane.

Molecular Properties

Compound Name1-(2,5-dimethyl-4-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)ethenyl-methylphosphane
PubChem CID167265671
Molecular FormulaC13H19P
Molecular Weight206.27 g/mol
Exact Mass206.12
IUPAC Name1-(2,5-dimethyl-4-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)ethenyl-methylphosphane
SMILESC=C(C)C1=CC(C)=C(C(=C)PC)C1C
InChIInChI=1S/C13H19P/c1-8(2)12-7-9(3)13(10(12)4)11(5)14-6/h7,10,14H,1,5H2,2-4,6H3
InChIKeyWMOAHFBZAWHYME-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-4-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)ethenyl-methylphosphane?
The IUPAC name of 1-(2,5-dimethyl-4-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)ethenyl-methylphosphane (CID 167265671) is 1-(2,5-dimethyl-4-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)ethenyl-methylphosphane.
What is the SMILES notation for 1-(2,5-dimethyl-4-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)ethenyl-methylphosphane?
The canonical SMILES for 1-(2,5-dimethyl-4-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)ethenyl-methylphosphane is C=C(C)C1=CC(C)=C(C(=C)PC)C1C.
What is the InChIKey of 1-(2,5-dimethyl-4-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)ethenyl-methylphosphane?
The InChIKey is WMOAHFBZAWHYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19P/c1-8(2)12-7-9(3)13(10(12)4)11(5)14-6/h7,10,14H,1,5H2,2-4,6H3.
What are the key properties of 1-(2,5-dimethyl-4-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)ethenyl-methylphosphane?
1-(2,5-dimethyl-4-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)ethenyl-methylphosphane has a molecular weight of 206.27 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-4-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)ethenyl-methylphosphane is sourced from PubChem (CID 167265671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).