methylidene-[phenyl(phosphanyl)phosphanyl]phosphanium;(E)-pent-3-enal

C12H18OP3+ — CID 123453625

IUPACmethylidene-[phenyl(phosphanyl)phosphanyl]phosphanium;(E)-pent-3-enal
SMILESC/C=C/CC=O.C=[PH+]P(P)c1ccccc1
InChIInChI=1S/C7H9P3.C5H8O/c1-9-10(8)7-5-3-2-4-6-7;1-2-3-4-5-6/h2-6H,1,8H2;2-3,5H,4H2,1H3/p+1/b;3-2+
InChIKeyTVBKULNDIALPNP-ZPYUXNTASA-O
MW271.20 g/mol
LogP3.76
Rot. Bonds4

About methylidene-[phenyl(phosphanyl)phosphanyl]phosphanium;(E)-pent-3-enal

methylidene-[phenyl(phosphanyl)phosphanyl]phosphanium;(E)-pent-3-enal (PubChem CID 123453625) has the molecular formula C12H18OP3+ and a molecular weight of 271.20 g/mol. Its IUPAC name is methylidene-[phenyl(phosphanyl)phosphanyl]phosphanium;(E)-pent-3-enal.

Molecular Properties

Compound Namemethylidene-[phenyl(phosphanyl)phosphanyl]phosphanium;(E)-pent-3-enal
PubChem CID123453625
Molecular FormulaC12H18OP3+
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Namemethylidene-[phenyl(phosphanyl)phosphanyl]phosphanium;(E)-pent-3-enal
SMILESC/C=C/CC=O.C=[PH+]P(P)c1ccccc1
InChIInChI=1S/C7H9P3.C5H8O/c1-9-10(8)7-5-3-2-4-6-7;1-2-3-4-5-6/h2-6H,1,8H2;2-3,5H,4H2,1H3/p+1/b;3-2+
InChIKeyTVBKULNDIALPNP-ZPYUXNTASA-O
XLogP3.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylidene-[phenyl(phosphanyl)phosphanyl]phosphanium;(E)-pent-3-enal?
The IUPAC name of methylidene-[phenyl(phosphanyl)phosphanyl]phosphanium;(E)-pent-3-enal (CID 123453625) is methylidene-[phenyl(phosphanyl)phosphanyl]phosphanium;(E)-pent-3-enal.
What is the SMILES notation for methylidene-[phenyl(phosphanyl)phosphanyl]phosphanium;(E)-pent-3-enal?
The canonical SMILES for methylidene-[phenyl(phosphanyl)phosphanyl]phosphanium;(E)-pent-3-enal is C/C=C/CC=O.C=[PH+]P(P)c1ccccc1.
What is the InChIKey of methylidene-[phenyl(phosphanyl)phosphanyl]phosphanium;(E)-pent-3-enal?
The InChIKey is TVBKULNDIALPNP-ZPYUXNTASA-O. The full InChI is InChI=1S/C7H9P3.C5H8O/c1-9-10(8)7-5-3-2-4-6-7;1-2-3-4-5-6/h2-6H,1,8H2;2-3,5H,4H2,1H3/p+1/b;3-2+.
What are the key properties of methylidene-[phenyl(phosphanyl)phosphanyl]phosphanium;(E)-pent-3-enal?
methylidene-[phenyl(phosphanyl)phosphanyl]phosphanium;(E)-pent-3-enal has a molecular weight of 271.20 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene-[phenyl(phosphanyl)phosphanyl]phosphanium;(E)-pent-3-enal is sourced from PubChem (CID 123453625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).