[(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane

C20H22OP2 — CID 90278670

IUPAC[(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane
SMILESC=C(CCP)/C(=C\c1cc2c(cc1C)oc1ccccc12)CP
InChIInChI=1S/C20H22OP2/c1-13(7-8-22)16(12-23)10-15-11-18-17-5-3-4-6-19(17)21-20(18)9-14(15)2/h3-6,9-11H,1,7-8,12,22-23H2,2H3/b16-10-
InChIKeyIVGMBJQPPHEVTG-YBEGLDIGSA-N
MW340.34 g/mol
LogP5.97
Rot. Bonds5

About [(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane

[(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane (PubChem CID 90278670) has the molecular formula C20H22OP2 and a molecular weight of 340.34 g/mol. Its IUPAC name is [(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane.

Molecular Properties

Compound Name[(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane
PubChem CID90278670
Molecular FormulaC20H22OP2
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name[(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane
SMILESC=C(CCP)/C(=C\c1cc2c(cc1C)oc1ccccc12)CP
InChIInChI=1S/C20H22OP2/c1-13(7-8-22)16(12-23)10-15-11-18-17-5-3-4-6-19(17)21-20(18)9-14(15)2/h3-6,9-11H,1,7-8,12,22-23H2,2H3/b16-10-
InChIKeyIVGMBJQPPHEVTG-YBEGLDIGSA-N
XLogP5.97
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.34
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane?
The IUPAC name of [(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane (CID 90278670) is [(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane.
What is the SMILES notation for [(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane?
The canonical SMILES for [(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane is C=C(CCP)/C(=C\c1cc2c(cc1C)oc1ccccc12)CP.
What is the InChIKey of [(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane?
The InChIKey is IVGMBJQPPHEVTG-YBEGLDIGSA-N. The full InChI is InChI=1S/C20H22OP2/c1-13(7-8-22)16(12-23)10-15-11-18-17-5-3-4-6-19(17)21-20(18)9-14(15)2/h3-6,9-11H,1,7-8,12,22-23H2,2H3/b16-10-.
What are the key properties of [(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane?
[(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane has a molecular weight of 340.34 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-[(3-methyldibenzofuran-2-yl)methylidene]-3-methylidene-5-phosphanylpentyl]phosphane is sourced from PubChem (CID 90278670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).