(Z)-cyclohexa-2,4-dien-1-ylidene-oxido-propan-2-yloxyphosphanium

C9H13O2P — CID 175112757

IUPAC(Z)-cyclohexa-2,4-dien-1-ylidene-oxido-propan-2-yloxyphosphanium
SMILESCC(C)O/[P+]([O-])=C1\C=CC=CC1
InChIInChI=1S/C9H13O2P/c1-8(2)11-12(10)9-6-4-3-5-7-9/h3-6,8H,7H2,1-2H3
InChIKeyAXFZURLLFLHULA-UHFFFAOYSA-N
MW184.18 g/mol
LogP1.77
Rot. Bonds2

About (Z)-cyclohexa-2,4-dien-1-ylidene-oxido-propan-2-yloxyphosphanium

(Z)-cyclohexa-2,4-dien-1-ylidene-oxido-propan-2-yloxyphosphanium (PubChem CID 175112757) has the molecular formula C9H13O2P and a molecular weight of 184.18 g/mol. Its IUPAC name is (Z)-cyclohexa-2,4-dien-1-ylidene-oxido-propan-2-yloxyphosphanium.

Molecular Properties

Compound Name(Z)-cyclohexa-2,4-dien-1-ylidene-oxido-propan-2-yloxyphosphanium
PubChem CID175112757
Molecular FormulaC9H13O2P
Molecular Weight184.18 g/mol
Exact Mass184.07
IUPAC Name(Z)-cyclohexa-2,4-dien-1-ylidene-oxido-propan-2-yloxyphosphanium
SMILESCC(C)O/[P+]([O-])=C1\C=CC=CC1
InChIInChI=1S/C9H13O2P/c1-8(2)11-12(10)9-6-4-3-5-7-9/h3-6,8H,7H2,1-2H3
InChIKeyAXFZURLLFLHULA-UHFFFAOYSA-N
XLogP1.77
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 (Z)-cyclohexa-2,4-dien-1-ylidene-oxido-propan-2-yloxyphosphanium?
The IUPAC name of (Z)-cyclohexa-2,4-dien-1-ylidene-oxido-propan-2-yloxyphosphanium (CID 175112757) is (Z)-cyclohexa-2,4-dien-1-ylidene-oxido-propan-2-yloxyphosphanium.
What is the SMILES notation for (Z)-cyclohexa-2,4-dien-1-ylidene-oxido-propan-2-yloxyphosphanium?
The canonical SMILES for (Z)-cyclohexa-2,4-dien-1-ylidene-oxido-propan-2-yloxyphosphanium is CC(C)O/[P+]([O-])=C1\C=CC=CC1.
What is the InChIKey of (Z)-cyclohexa-2,4-dien-1-ylidene-oxido-propan-2-yloxyphosphanium?
The InChIKey is AXFZURLLFLHULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O2P/c1-8(2)11-12(10)9-6-4-3-5-7-9/h3-6,8H,7H2,1-2H3.
What are the key properties of (Z)-cyclohexa-2,4-dien-1-ylidene-oxido-propan-2-yloxyphosphanium?
(Z)-cyclohexa-2,4-dien-1-ylidene-oxido-propan-2-yloxyphosphanium has a molecular weight of 184.18 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-cyclohexa-2,4-dien-1-ylidene-oxido-propan-2-yloxyphosphanium is sourced from PubChem (CID 175112757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).