2,3,4-trimethyl-5-(2,3,4-trimethyl-2H-phosphol-5-yl)-2H-phosphole

C14H20P2 — CID 22971709

IUPAC2,3,4-trimethyl-5-(2,3,4-trimethyl-2H-phosphol-5-yl)-2H-phosphole
SMILESCC1=C(C)C(C)P=C1C1=PC(C)C(C)=C1C
InChIInChI=1S/C14H20P2/c1-7-9(3)13(15-11(7)5)14-10(4)8(2)12(6)16-14/h11-12H,1-6H3
InChIKeyQBNODNXZOTYLLE-UHFFFAOYSA-N
MW250.26 g/mol
LogP4.70
Rot. Bonds1

About 2,3,4-trimethyl-5-(2,3,4-trimethyl-2H-phosphol-5-yl)-2H-phosphole

2,3,4-trimethyl-5-(2,3,4-trimethyl-2H-phosphol-5-yl)-2H-phosphole (PubChem CID 22971709) has the molecular formula C14H20P2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2,3,4-trimethyl-5-(2,3,4-trimethyl-2H-phosphol-5-yl)-2H-phosphole.

Molecular Properties

Compound Name2,3,4-trimethyl-5-(2,3,4-trimethyl-2H-phosphol-5-yl)-2H-phosphole
PubChem CID22971709
Molecular FormulaC14H20P2
Molecular Weight250.26 g/mol
Exact Mass250.10
IUPAC Name2,3,4-trimethyl-5-(2,3,4-trimethyl-2H-phosphol-5-yl)-2H-phosphole
SMILESCC1=C(C)C(C)P=C1C1=PC(C)C(C)=C1C
InChIInChI=1S/C14H20P2/c1-7-9(3)13(15-11(7)5)14-10(4)8(2)12(6)16-14/h11-12H,1-6H3
InChIKeyQBNODNXZOTYLLE-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 54.70
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

(3R,4R)-1,2,3,4-tetramethylcyclobutene
CID 15050868
1,2,3,4-tetramethylcyclobutene
CID 565395
carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium
CID 158383790
1,2,3,5,6,7-hexamethyl-1,4,5,8-tetrahydro-s-indacene
CID 20718988
2,3-dimethylcyclopropen-1-ol
CID 58816589
ethane;1,2,3,4,5,6,7-heptamethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 162283851
1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium
CID 74765453
carbon monoxide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;rhenium
CID 155885990
bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methylsilane
CID 162285225
2,5-ditert-butyl-3,4-dimethyl-2H-phosphole
CID 139104236
1,2,3,4,5,6-hexamethylcyclohexene;osmium
CID 173399747
1,2,3,6-tetramethylcyclohexene
CID 21243938

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-5-(2,3,4-trimethyl-2H-phosphol-5-yl)-2H-phosphole?
The IUPAC name of 2,3,4-trimethyl-5-(2,3,4-trimethyl-2H-phosphol-5-yl)-2H-phosphole (CID 22971709) is 2,3,4-trimethyl-5-(2,3,4-trimethyl-2H-phosphol-5-yl)-2H-phosphole.
What is the SMILES notation for 2,3,4-trimethyl-5-(2,3,4-trimethyl-2H-phosphol-5-yl)-2H-phosphole?
The canonical SMILES for 2,3,4-trimethyl-5-(2,3,4-trimethyl-2H-phosphol-5-yl)-2H-phosphole is CC1=C(C)C(C)P=C1C1=PC(C)C(C)=C1C.
What is the InChIKey of 2,3,4-trimethyl-5-(2,3,4-trimethyl-2H-phosphol-5-yl)-2H-phosphole?
The InChIKey is QBNODNXZOTYLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20P2/c1-7-9(3)13(15-11(7)5)14-10(4)8(2)12(6)16-14/h11-12H,1-6H3.
What are the key properties of 2,3,4-trimethyl-5-(2,3,4-trimethyl-2H-phosphol-5-yl)-2H-phosphole?
2,3,4-trimethyl-5-(2,3,4-trimethyl-2H-phosphol-5-yl)-2H-phosphole has a molecular weight of 250.26 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-5-(2,3,4-trimethyl-2H-phosphol-5-yl)-2H-phosphole is sourced from PubChem (CID 22971709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).