2-cyclopenta-1,3-dien-1-ylethyl-oxido-oxophosphanium

C7H9O2P — CID 6912617

IUPAC2-cyclopenta-1,3-dien-1-ylethyl-oxido-oxophosphanium
SMILESO=[P+]([O-])CCC1=CC=CC1
InChIInChI=1S/C7H9O2P/c8-10(9)6-5-7-3-1-2-4-7/h1-3H,4-6H2
InChIKeyITENXDURWSWMOL-UHFFFAOYSA-N
MW156.12 g/mol
LogP1.37
Rot. Bonds3

About 2-cyclopenta-1,3-dien-1-ylethyl-oxido-oxophosphanium

2-cyclopenta-1,3-dien-1-ylethyl-oxido-oxophosphanium (PubChem CID 6912617) has the molecular formula C7H9O2P and a molecular weight of 156.12 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-ylethyl-oxido-oxophosphanium.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-ylethyl-oxido-oxophosphanium
PubChem CID6912617
Molecular FormulaC7H9O2P
Molecular Weight156.12 g/mol
Exact Mass156.03
IUPAC Name2-cyclopenta-1,3-dien-1-ylethyl-oxido-oxophosphanium
SMILESO=[P+]([O-])CCC1=CC=CC1
InChIInChI=1S/C7H9O2P/c8-10(9)6-5-7-3-1-2-4-7/h1-3H,4-6H2
InChIKeyITENXDURWSWMOL-UHFFFAOYSA-N
XLogP1.37
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.12
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 129813301
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CID 129879244
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CID 10017574
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CID 21835318
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CID 21835319
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CID 53842691
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CID 54148241
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CID 54160522
CID 54160522

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-ylethyl-oxido-oxophosphanium?
The IUPAC name of 2-cyclopenta-1,3-dien-1-ylethyl-oxido-oxophosphanium (CID 6912617) is 2-cyclopenta-1,3-dien-1-ylethyl-oxido-oxophosphanium.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-ylethyl-oxido-oxophosphanium?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-ylethyl-oxido-oxophosphanium is O=[P+]([O-])CCC1=CC=CC1.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-ylethyl-oxido-oxophosphanium?
The InChIKey is ITENXDURWSWMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O2P/c8-10(9)6-5-7-3-1-2-4-7/h1-3H,4-6H2.
What are the key properties of 2-cyclopenta-1,3-dien-1-ylethyl-oxido-oxophosphanium?
2-cyclopenta-1,3-dien-1-ylethyl-oxido-oxophosphanium has a molecular weight of 156.12 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-ylethyl-oxido-oxophosphanium is sourced from PubChem (CID 6912617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).