acetaldehyde;cyclopropanamine;methoxymethoxymethylidene(triphenyl)-λ5-phosphane

C26H32NO3P — CID 91113710

IUPACacetaldehyde;cyclopropanamine;methoxymethoxymethylidene(triphenyl)-λ5-phosphane
SMILESCC=O.COCOC=P(c1ccccc1)(c1ccccc1)c1ccccc1.NC1CC1
InChIInChI=1S/C21H21O2P.C3H7N.C2H4O/c1-22-17-23-18-24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;4-3-1-2-3;1-2-3/h2-16,18H,17H2,1H3;3H,1-2,4H2;2H,1H3
InChIKeyKUBGKIYDJGPSTR-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.67
Rot. Bonds6

About acetaldehyde;cyclopropanamine;methoxymethoxymethylidene(triphenyl)-λ5-phosphane

acetaldehyde;cyclopropanamine;methoxymethoxymethylidene(triphenyl)-λ5-phosphane (PubChem CID 91113710) has the molecular formula C26H32NO3P and a molecular weight of 437.52 g/mol. Its IUPAC name is acetaldehyde;cyclopropanamine;methoxymethoxymethylidene(triphenyl)-λ5-phosphane.

Molecular Properties

Compound Nameacetaldehyde;cyclopropanamine;methoxymethoxymethylidene(triphenyl)-λ5-phosphane
PubChem CID91113710
Molecular FormulaC26H32NO3P
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC Nameacetaldehyde;cyclopropanamine;methoxymethoxymethylidene(triphenyl)-λ5-phosphane
SMILESCC=O.COCOC=P(c1ccccc1)(c1ccccc1)c1ccccc1.NC1CC1
InChIInChI=1S/C21H21O2P.C3H7N.C2H4O/c1-22-17-23-18-24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;4-3-1-2-3;1-2-3/h2-16,18H,17H2,1H3;3H,1-2,4H2;2H,1H3
InChIKeyKUBGKIYDJGPSTR-UHFFFAOYSA-N
XLogP3.67
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;cyclopropanamine;methoxymethoxymethylidene(triphenyl)-λ5-phosphane?
The IUPAC name of acetaldehyde;cyclopropanamine;methoxymethoxymethylidene(triphenyl)-λ5-phosphane (CID 91113710) is acetaldehyde;cyclopropanamine;methoxymethoxymethylidene(triphenyl)-λ5-phosphane.
What is the SMILES notation for acetaldehyde;cyclopropanamine;methoxymethoxymethylidene(triphenyl)-λ5-phosphane?
The canonical SMILES for acetaldehyde;cyclopropanamine;methoxymethoxymethylidene(triphenyl)-λ5-phosphane is CC=O.COCOC=P(c1ccccc1)(c1ccccc1)c1ccccc1.NC1CC1.
What is the InChIKey of acetaldehyde;cyclopropanamine;methoxymethoxymethylidene(triphenyl)-λ5-phosphane?
The InChIKey is KUBGKIYDJGPSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O2P.C3H7N.C2H4O/c1-22-17-23-18-24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;4-3-1-2-3;1-2-3/h2-16,18H,17H2,1H3;3H,1-2,4H2;2H,1H3.
What are the key properties of acetaldehyde;cyclopropanamine;methoxymethoxymethylidene(triphenyl)-λ5-phosphane?
acetaldehyde;cyclopropanamine;methoxymethoxymethylidene(triphenyl)-λ5-phosphane has a molecular weight of 437.52 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;cyclopropanamine;methoxymethoxymethylidene(triphenyl)-λ5-phosphane is sourced from PubChem (CID 91113710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).