(E)-cyclohexa-2,4-dien-1-ylidene-(2-methylpropoxy)-oxidophosphanium

C10H15O2P — CID 175113731

IUPAC(E)-cyclohexa-2,4-dien-1-ylidene-(2-methylpropoxy)-oxidophosphanium
SMILESCC(C)CO/[P+]([O-])=C1/C=CC=CC1
InChIInChI=1S/C10H15O2P/c1-9(2)8-12-13(11)10-6-4-3-5-7-10/h3-6,9H,7-8H2,1-2H3
InChIKeyXRWXCNOBOSQRBZ-UHFFFAOYSA-N
MW198.20 g/mol
LogP2.02
Rot. Bonds3

About (E)-cyclohexa-2,4-dien-1-ylidene-(2-methylpropoxy)-oxidophosphanium

(E)-cyclohexa-2,4-dien-1-ylidene-(2-methylpropoxy)-oxidophosphanium (PubChem CID 175113731) has the molecular formula C10H15O2P and a molecular weight of 198.20 g/mol. Its IUPAC name is (E)-cyclohexa-2,4-dien-1-ylidene-(2-methylpropoxy)-oxidophosphanium.

Molecular Properties

Compound Name(E)-cyclohexa-2,4-dien-1-ylidene-(2-methylpropoxy)-oxidophosphanium
PubChem CID175113731
Molecular FormulaC10H15O2P
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name(E)-cyclohexa-2,4-dien-1-ylidene-(2-methylpropoxy)-oxidophosphanium
SMILESCC(C)CO/[P+]([O-])=C1/C=CC=CC1
InChIInChI=1S/C10H15O2P/c1-9(2)8-12-13(11)10-6-4-3-5-7-10/h3-6,9H,7-8H2,1-2H3
InChIKeyXRWXCNOBOSQRBZ-UHFFFAOYSA-N
XLogP2.02
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 52.02
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-(2-methylpropoxy)-oxidophosphanium?
The IUPAC name of (E)-cyclohexa-2,4-dien-1-ylidene-(2-methylpropoxy)-oxidophosphanium (CID 175113731) is (E)-cyclohexa-2,4-dien-1-ylidene-(2-methylpropoxy)-oxidophosphanium.
What is the SMILES notation for (E)-cyclohexa-2,4-dien-1-ylidene-(2-methylpropoxy)-oxidophosphanium?
The canonical SMILES for (E)-cyclohexa-2,4-dien-1-ylidene-(2-methylpropoxy)-oxidophosphanium is CC(C)CO/[P+]([O-])=C1/C=CC=CC1.
What is the InChIKey of (E)-cyclohexa-2,4-dien-1-ylidene-(2-methylpropoxy)-oxidophosphanium?
The InChIKey is XRWXCNOBOSQRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O2P/c1-9(2)8-12-13(11)10-6-4-3-5-7-10/h3-6,9H,7-8H2,1-2H3.
What are the key properties of (E)-cyclohexa-2,4-dien-1-ylidene-(2-methylpropoxy)-oxidophosphanium?
(E)-cyclohexa-2,4-dien-1-ylidene-(2-methylpropoxy)-oxidophosphanium has a molecular weight of 198.20 g/mol, XLogP of 2.02, 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-(2-methylpropoxy)-oxidophosphanium is sourced from PubChem (CID 175113731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).