ethoxy-methoxy-methylidene-oxido-λ5-phosphane;1-(4-methoxybutyl)triazole

C11H23N3O4P- — CID 159223777

IUPACethoxy-methoxy-methylidene-oxido-λ5-phosphane;1-(4-methoxybutyl)triazole
SMILESC=P([O-])(OC)OCC.COCCCCn1ccnn1
InChIInChI=1S/C7H13N3O.C4H10O3P/c1-11-7-3-2-5-10-6-4-8-9-10;1-4-7-8(3,5)6-2/h4,6H,2-3,5,7H2,1H3;3-4H2,1-2H3/q;-1
InChIKeyKSAGVPNQGCCZAY-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.93
Rot. Bonds8

About ethoxy-methoxy-methylidene-oxido-λ5-phosphane;1-(4-methoxybutyl)triazole

ethoxy-methoxy-methylidene-oxido-λ5-phosphane;1-(4-methoxybutyl)triazole (PubChem CID 159223777) has the molecular formula C11H23N3O4P- and a molecular weight of 292.30 g/mol. Its IUPAC name is ethoxy-methoxy-methylidene-oxido-λ5-phosphane;1-(4-methoxybutyl)triazole.

Molecular Properties

Compound Nameethoxy-methoxy-methylidene-oxido-λ5-phosphane;1-(4-methoxybutyl)triazole
PubChem CID159223777
Molecular FormulaC11H23N3O4P-
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Nameethoxy-methoxy-methylidene-oxido-λ5-phosphane;1-(4-methoxybutyl)triazole
SMILESC=P([O-])(OC)OCC.COCCCCn1ccnn1
InChIInChI=1S/C7H13N3O.C4H10O3P/c1-11-7-3-2-5-10-6-4-8-9-10;1-4-7-8(3,5)6-2/h4,6H,2-3,5,7H2,1H3;3-4H2,1-2H3/q;-1
InChIKeyKSAGVPNQGCCZAY-UHFFFAOYSA-N
XLogP0.93
TPSA81.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-methoxy-methylidene-oxido-λ5-phosphane;1-(4-methoxybutyl)triazole?
The IUPAC name of ethoxy-methoxy-methylidene-oxido-λ5-phosphane;1-(4-methoxybutyl)triazole (CID 159223777) is ethoxy-methoxy-methylidene-oxido-λ5-phosphane;1-(4-methoxybutyl)triazole.
What is the SMILES notation for ethoxy-methoxy-methylidene-oxido-λ5-phosphane;1-(4-methoxybutyl)triazole?
The canonical SMILES for ethoxy-methoxy-methylidene-oxido-λ5-phosphane;1-(4-methoxybutyl)triazole is C=P([O-])(OC)OCC.COCCCCn1ccnn1.
What is the InChIKey of ethoxy-methoxy-methylidene-oxido-λ5-phosphane;1-(4-methoxybutyl)triazole?
The InChIKey is KSAGVPNQGCCZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O.C4H10O3P/c1-11-7-3-2-5-10-6-4-8-9-10;1-4-7-8(3,5)6-2/h4,6H,2-3,5,7H2,1H3;3-4H2,1-2H3/q;-1.
What are the key properties of ethoxy-methoxy-methylidene-oxido-λ5-phosphane;1-(4-methoxybutyl)triazole?
ethoxy-methoxy-methylidene-oxido-λ5-phosphane;1-(4-methoxybutyl)triazole has a molecular weight of 292.30 g/mol, XLogP of 0.93, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-methoxy-methylidene-oxido-λ5-phosphane;1-(4-methoxybutyl)triazole is sourced from PubChem (CID 159223777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).