3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propyl-diphenylphosphane

C25H31P — CID 101105059

IUPAC3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propyl-diphenylphosphane
SMILESCC1=C(C)C(C)(CCCP(c2ccccc2)c2ccccc2)C(C)=C1C
InChIInChI=1S/C25H31P/c1-19-20(2)22(4)25(5,21(19)3)17-12-18-26(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h6-11,13-16H,12,17-18H2,1-5H3
InChIKeyGDFUZEMEWBQYDF-UHFFFAOYSA-N
MW362.50 g/mol
LogP6.59
Rot. Bonds6

About 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propyl-diphenylphosphane

3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propyl-diphenylphosphane (PubChem CID 101105059) has the molecular formula C25H31P and a molecular weight of 362.50 g/mol. Its IUPAC name is 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propyl-diphenylphosphane.

Molecular Properties

Compound Name3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propyl-diphenylphosphane
PubChem CID101105059
Molecular FormulaC25H31P
Molecular Weight362.50 g/mol
Exact Mass362.22
IUPAC Name3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propyl-diphenylphosphane
SMILESCC1=C(C)C(C)(CCCP(c2ccccc2)c2ccccc2)C(C)=C1C
InChIInChI=1S/C25H31P/c1-19-20(2)22(4)25(5,21(19)3)17-12-18-26(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h6-11,13-16H,12,17-18H2,1-5H3
InChIKeyGDFUZEMEWBQYDF-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 56.59
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 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propyl-diphenylphosphane?
The IUPAC name of 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propyl-diphenylphosphane (CID 101105059) is 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propyl-diphenylphosphane.
What is the SMILES notation for 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propyl-diphenylphosphane?
The canonical SMILES for 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propyl-diphenylphosphane is CC1=C(C)C(C)(CCCP(c2ccccc2)c2ccccc2)C(C)=C1C.
What is the InChIKey of 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propyl-diphenylphosphane?
The InChIKey is GDFUZEMEWBQYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31P/c1-19-20(2)22(4)25(5,21(19)3)17-12-18-26(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h6-11,13-16H,12,17-18H2,1-5H3.
What are the key properties of 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propyl-diphenylphosphane?
3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propyl-diphenylphosphane has a molecular weight of 362.50 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propyl-diphenylphosphane is sourced from PubChem (CID 101105059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).