2-methanidylprop-1-ene;2-methylprop-2-enoxymethylidene(triphenyl)-λ5-phosphane;yttrium(3+)

C27H29OPY+ — CID 20609722

IUPAC2-methanidylprop-1-ene;2-methylprop-2-enoxymethylidene(triphenyl)-λ5-phosphane;yttrium(3+)
SMILESC=C([CH2-])C.[H]/[C-]=C(/C)COC=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Y+3]
InChIInChI=1S/C23H22OP.C4H7.Y/c1-20(2)18-24-19-25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;1-4(2)3;/h1,3-17,19H,18H2,2H3;1-2H2,3H3;/q2*-1;+3
InChIKeySHHAETYXXKGDST-UHFFFAOYSA-N
MW489.41 g/mol
LogP5.53
Rot. Bonds6

About 2-methanidylprop-1-ene;2-methylprop-2-enoxymethylidene(triphenyl)-λ5-phosphane;yttrium(3+)

2-methanidylprop-1-ene;2-methylprop-2-enoxymethylidene(triphenyl)-λ5-phosphane;yttrium(3+) (PubChem CID 20609722) has the molecular formula C27H29OPY+ and a molecular weight of 489.41 g/mol. Its IUPAC name is 2-methanidylprop-1-ene;2-methylprop-2-enoxymethylidene(triphenyl)-λ5-phosphane;yttrium(3+).

Molecular Properties

Compound Name2-methanidylprop-1-ene;2-methylprop-2-enoxymethylidene(triphenyl)-λ5-phosphane;yttrium(3+)
PubChem CID20609722
Molecular FormulaC27H29OPY+
Molecular Weight489.41 g/mol
Exact Mass489.10
IUPAC Name2-methanidylprop-1-ene;2-methylprop-2-enoxymethylidene(triphenyl)-λ5-phosphane;yttrium(3+)
SMILESC=C([CH2-])C.[H]/[C-]=C(/C)COC=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Y+3]
InChIInChI=1S/C23H22OP.C4H7.Y/c1-20(2)18-24-19-25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;1-4(2)3;/h1,3-17,19H,18H2,2H3;1-2H2,3H3;/q2*-1;+3
InChIKeySHHAETYXXKGDST-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.41
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methanidylprop-1-ene;2-methylprop-2-enoxymethylidene(triphenyl)-λ5-phosphane;yttrium(3+)?
The IUPAC name of 2-methanidylprop-1-ene;2-methylprop-2-enoxymethylidene(triphenyl)-λ5-phosphane;yttrium(3+) (CID 20609722) is 2-methanidylprop-1-ene;2-methylprop-2-enoxymethylidene(triphenyl)-λ5-phosphane;yttrium(3+).
What is the SMILES notation for 2-methanidylprop-1-ene;2-methylprop-2-enoxymethylidene(triphenyl)-λ5-phosphane;yttrium(3+)?
The canonical SMILES for 2-methanidylprop-1-ene;2-methylprop-2-enoxymethylidene(triphenyl)-λ5-phosphane;yttrium(3+) is C=C([CH2-])C.[H]/[C-]=C(/C)COC=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Y+3].
What is the InChIKey of 2-methanidylprop-1-ene;2-methylprop-2-enoxymethylidene(triphenyl)-λ5-phosphane;yttrium(3+)?
The InChIKey is SHHAETYXXKGDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22OP.C4H7.Y/c1-20(2)18-24-19-25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;1-4(2)3;/h1,3-17,19H,18H2,2H3;1-2H2,3H3;/q2*-1;+3.
What are the key properties of 2-methanidylprop-1-ene;2-methylprop-2-enoxymethylidene(triphenyl)-λ5-phosphane;yttrium(3+)?
2-methanidylprop-1-ene;2-methylprop-2-enoxymethylidene(triphenyl)-λ5-phosphane;yttrium(3+) has a molecular weight of 489.41 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidylprop-1-ene;2-methylprop-2-enoxymethylidene(triphenyl)-λ5-phosphane;yttrium(3+) is sourced from PubChem (CID 20609722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).