1-[pentoxy(propyl)phosphoryl]oxypentane

C13H29O3P — CID 22011429

IUPAC1-[pentoxy(propyl)phosphoryl]oxypentane
SMILESCCCCCOP(=O)(CCC)OCCCCC
InChIInChI=1S/C13H29O3P/c1-4-7-9-11-15-17(14,13-6-3)16-12-10-8-5-2/h4-13H2,1-3H3
InChIKeyPFDVCJMDBVINBY-UHFFFAOYSA-N
MW264.35 g/mol
LogP5.00
Rot. Bonds12

About 1-[pentoxy(propyl)phosphoryl]oxypentane

1-[pentoxy(propyl)phosphoryl]oxypentane (PubChem CID 22011429) has the molecular formula C13H29O3P and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[pentoxy(propyl)phosphoryl]oxypentane.

Molecular Properties

Compound Name1-[pentoxy(propyl)phosphoryl]oxypentane
PubChem CID22011429
Molecular FormulaC13H29O3P
Molecular Weight264.35 g/mol
Exact Mass264.19
IUPAC Name1-[pentoxy(propyl)phosphoryl]oxypentane
SMILESCCCCCOP(=O)(CCC)OCCCCC
InChIInChI=1S/C13H29O3P/c1-4-7-9-11-15-17(14,13-6-3)16-12-10-8-5-2/h4-13H2,1-3H3
InChIKeyPFDVCJMDBVINBY-UHFFFAOYSA-N
XLogP5.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.35
LogP ≤ 55.00
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[pentoxy(propyl)phosphoryl]oxypentane?
The IUPAC name of 1-[pentoxy(propyl)phosphoryl]oxypentane (CID 22011429) is 1-[pentoxy(propyl)phosphoryl]oxypentane.
What is the SMILES notation for 1-[pentoxy(propyl)phosphoryl]oxypentane?
The canonical SMILES for 1-[pentoxy(propyl)phosphoryl]oxypentane is CCCCCOP(=O)(CCC)OCCCCC.
What is the InChIKey of 1-[pentoxy(propyl)phosphoryl]oxypentane?
The InChIKey is PFDVCJMDBVINBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29O3P/c1-4-7-9-11-15-17(14,13-6-3)16-12-10-8-5-2/h4-13H2,1-3H3.
What are the key properties of 1-[pentoxy(propyl)phosphoryl]oxypentane?
1-[pentoxy(propyl)phosphoryl]oxypentane has a molecular weight of 264.35 g/mol, XLogP of 5.00, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[pentoxy(propyl)phosphoryl]oxypentane is sourced from PubChem (CID 22011429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).