1-[butyl(but-3-yn-2-yloxy)phosphoryl]oxypentane

C13H25O3P — CID 91716491

IUPAC1-[butyl(but-3-yn-2-yloxy)phosphoryl]oxypentane
SMILESC#CC(C)OP(=O)(CCCC)OCCCCC
InChIInChI=1S/C13H25O3P/c1-5-8-10-11-15-17(14,12-9-6-2)16-13(4)7-3/h3,13H,5-6,8-12H2,1-2,4H3
InChIKeyAWDOAWDOBISZKA-UHFFFAOYSA-N
MW260.31 g/mol
LogP4.22
Rot. Bonds10

About 1-[butyl(but-3-yn-2-yloxy)phosphoryl]oxypentane

1-[butyl(but-3-yn-2-yloxy)phosphoryl]oxypentane (PubChem CID 91716491) has the molecular formula C13H25O3P and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-[butyl(but-3-yn-2-yloxy)phosphoryl]oxypentane.

Molecular Properties

Compound Name1-[butyl(but-3-yn-2-yloxy)phosphoryl]oxypentane
PubChem CID91716491
Molecular FormulaC13H25O3P
Molecular Weight260.31 g/mol
Exact Mass260.15
IUPAC Name1-[butyl(but-3-yn-2-yloxy)phosphoryl]oxypentane
SMILESC#CC(C)OP(=O)(CCCC)OCCCCC
InChIInChI=1S/C13H25O3P/c1-5-8-10-11-15-17(14,12-9-6-2)16-13(4)7-3/h3,13H,5-6,8-12H2,1-2,4H3
InChIKeyAWDOAWDOBISZKA-UHFFFAOYSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-dioctoxyphosphoryldecane
CID 141369437
1-didecoxyphosphoryltetradecane
CID 151616748
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-dihexoxyphosphoryltetradecane
CID 151638840
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
1-diheptoxyphosphoryloctadecane
CID 153322672
1-[butoxy(butyl)phosphoryl]oxyheptane
CID 88847148
1-[butyl(2-methylpropoxy)phosphoryl]oxyoctadecane
CID 91716506
1-[butyl(2-methylpropoxy)phosphoryl]oxydodecane
CID 91716241
1-[butyl(2-methylpropoxy)phosphoryl]oxypentadecane
CID 91716510
1-dibutoxyphosphoryloctacosane
CID 141204672

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(but-3-yn-2-yloxy)phosphoryl]oxypentane?
The IUPAC name of 1-[butyl(but-3-yn-2-yloxy)phosphoryl]oxypentane (CID 91716491) is 1-[butyl(but-3-yn-2-yloxy)phosphoryl]oxypentane.
What is the SMILES notation for 1-[butyl(but-3-yn-2-yloxy)phosphoryl]oxypentane?
The canonical SMILES for 1-[butyl(but-3-yn-2-yloxy)phosphoryl]oxypentane is C#CC(C)OP(=O)(CCCC)OCCCCC.
What is the InChIKey of 1-[butyl(but-3-yn-2-yloxy)phosphoryl]oxypentane?
The InChIKey is AWDOAWDOBISZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25O3P/c1-5-8-10-11-15-17(14,12-9-6-2)16-13(4)7-3/h3,13H,5-6,8-12H2,1-2,4H3.
What are the key properties of 1-[butyl(but-3-yn-2-yloxy)phosphoryl]oxypentane?
1-[butyl(but-3-yn-2-yloxy)phosphoryl]oxypentane has a molecular weight of 260.31 g/mol, XLogP of 4.22, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(but-3-yn-2-yloxy)phosphoryl]oxypentane is sourced from PubChem (CID 91716491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).