(E)-cyclohexa-2,4-dien-1-ylidene-oxido-propoxyphosphanium

C9H13O2P — CID 175353079

IUPAC(E)-cyclohexa-2,4-dien-1-ylidene-oxido-propoxyphosphanium
SMILESCCCO/[P+]([O-])=C1/C=CC=CC1
InChIInChI=1S/C9H13O2P/c1-2-8-11-12(10)9-6-4-3-5-7-9/h3-6H,2,7-8H2,1H3
InChIKeyXUAYADYMZNEZRI-UHFFFAOYSA-N
MW184.18 g/mol
LogP1.77
Rot. Bonds3

About (E)-cyclohexa-2,4-dien-1-ylidene-oxido-propoxyphosphanium

(E)-cyclohexa-2,4-dien-1-ylidene-oxido-propoxyphosphanium (PubChem CID 175353079) has the molecular formula C9H13O2P and a molecular weight of 184.18 g/mol. Its IUPAC name is (E)-cyclohexa-2,4-dien-1-ylidene-oxido-propoxyphosphanium.

Molecular Properties

Compound Name(E)-cyclohexa-2,4-dien-1-ylidene-oxido-propoxyphosphanium
PubChem CID175353079
Molecular FormulaC9H13O2P
Molecular Weight184.18 g/mol
Exact Mass184.07
IUPAC Name(E)-cyclohexa-2,4-dien-1-ylidene-oxido-propoxyphosphanium
SMILESCCCO/[P+]([O-])=C1/C=CC=CC1
InChIInChI=1S/C9H13O2P/c1-2-8-11-12(10)9-6-4-3-5-7-9/h3-6H,2,7-8H2,1H3
InChIKeyXUAYADYMZNEZRI-UHFFFAOYSA-N
XLogP1.77
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-cyclohexa-2,4-dien-1-ylidene-oxido-propoxyphosphanium?
The IUPAC name of (E)-cyclohexa-2,4-dien-1-ylidene-oxido-propoxyphosphanium (CID 175353079) is (E)-cyclohexa-2,4-dien-1-ylidene-oxido-propoxyphosphanium.
What is the SMILES notation for (E)-cyclohexa-2,4-dien-1-ylidene-oxido-propoxyphosphanium?
The canonical SMILES for (E)-cyclohexa-2,4-dien-1-ylidene-oxido-propoxyphosphanium is CCCO/[P+]([O-])=C1/C=CC=CC1.
What is the InChIKey of (E)-cyclohexa-2,4-dien-1-ylidene-oxido-propoxyphosphanium?
The InChIKey is XUAYADYMZNEZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O2P/c1-2-8-11-12(10)9-6-4-3-5-7-9/h3-6H,2,7-8H2,1H3.
What are the key properties of (E)-cyclohexa-2,4-dien-1-ylidene-oxido-propoxyphosphanium?
(E)-cyclohexa-2,4-dien-1-ylidene-oxido-propoxyphosphanium has a molecular weight of 184.18 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-cyclohexa-2,4-dien-1-ylidene-oxido-propoxyphosphanium is sourced from PubChem (CID 175353079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).