1-[butoxy(2-ethoxyethenyl)phosphoryl]oxybutane

C12H25O4P — CID 71350073

IUPAC1-[butoxy(2-ethoxyethenyl)phosphoryl]oxybutane
SMILESCCCCOP(=O)(C=COCC)OCCCC
InChIInChI=1S/C12H25O4P/c1-4-7-9-15-17(13,12-11-14-6-3)16-10-8-5-2/h11-12H,4-10H2,1-3H3
InChIKeyUJEXGCIFLZEMRJ-UHFFFAOYSA-N
MW264.30 g/mol
LogP4.32
Rot. Bonds11

About 1-[butoxy(2-ethoxyethenyl)phosphoryl]oxybutane

1-[butoxy(2-ethoxyethenyl)phosphoryl]oxybutane (PubChem CID 71350073) has the molecular formula C12H25O4P and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-[butoxy(2-ethoxyethenyl)phosphoryl]oxybutane.

Molecular Properties

Compound Name1-[butoxy(2-ethoxyethenyl)phosphoryl]oxybutane
PubChem CID71350073
Molecular FormulaC12H25O4P
Molecular Weight264.30 g/mol
Exact Mass264.15
IUPAC Name1-[butoxy(2-ethoxyethenyl)phosphoryl]oxybutane
SMILESCCCCOP(=O)(C=COCC)OCCCC
InChIInChI=1S/C12H25O4P/c1-4-7-9-15-17(13,12-11-14-6-3)16-10-8-5-2/h11-12H,4-10H2,1-3H3
InChIKeyUJEXGCIFLZEMRJ-UHFFFAOYSA-N
XLogP4.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

terbium;tributyl phosphate
CID 90187591
tributyl phosphate;trihydrochloride
CID 173157313
europium;tributyl phosphate
CID 90187569
1-[butoxy(butyl)phosphoryl]oxybutane
CID 23416658
1-[2-fluoroethenyl(propoxy)phosphoryl]oxypropane
CID 91477346
1,14-bis[[ethenyl(pentoxy)phosphoryl]oxy]tetradecane
CID 156751885
1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane
CID 156751855
dibutyl hydrogen phosphate
CID 158586372
1-[butoxy((114C)methyl)(14C)phosphoryl]oxybutane
CID 12777600
2-[(E)-2-dibutoxyphosphorylethenyl]thiophene
CID 5383939
dibutyl [(E)-prop-1-enyl] phosphate
CID 5372398
azane;butyl dihydrogen phosphate
CID 173333807

Frequently Asked Questions

What is the IUPAC name of 1-[butoxy(2-ethoxyethenyl)phosphoryl]oxybutane?
The IUPAC name of 1-[butoxy(2-ethoxyethenyl)phosphoryl]oxybutane (CID 71350073) is 1-[butoxy(2-ethoxyethenyl)phosphoryl]oxybutane.
What is the SMILES notation for 1-[butoxy(2-ethoxyethenyl)phosphoryl]oxybutane?
The canonical SMILES for 1-[butoxy(2-ethoxyethenyl)phosphoryl]oxybutane is CCCCOP(=O)(C=COCC)OCCCC.
What is the InChIKey of 1-[butoxy(2-ethoxyethenyl)phosphoryl]oxybutane?
The InChIKey is UJEXGCIFLZEMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25O4P/c1-4-7-9-15-17(13,12-11-14-6-3)16-10-8-5-2/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-[butoxy(2-ethoxyethenyl)phosphoryl]oxybutane?
1-[butoxy(2-ethoxyethenyl)phosphoryl]oxybutane has a molecular weight of 264.30 g/mol, XLogP of 4.32, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butoxy(2-ethoxyethenyl)phosphoryl]oxybutane is sourced from PubChem (CID 71350073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).