butyl [butoxy(ethoxy)phosphoryl]formate

C11H23O5P — CID 91568211

IUPACbutyl [butoxy(ethoxy)phosphoryl]formate
SMILESCCCCOC(=O)P(=O)(OCC)OCCCC
InChIInChI=1S/C11H23O5P/c1-4-7-9-14-11(12)17(13,15-6-3)16-10-8-5-2/h4-10H2,1-3H3
InChIKeyBHGSHHKFKFFQHK-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.97
Rot. Bonds10

About butyl [butoxy(ethoxy)phosphoryl]formate

butyl [butoxy(ethoxy)phosphoryl]formate (PubChem CID 91568211) has the molecular formula C11H23O5P and a molecular weight of 266.27 g/mol. Its IUPAC name is butyl [butoxy(ethoxy)phosphoryl]formate.

Molecular Properties

Compound Namebutyl [butoxy(ethoxy)phosphoryl]formate
PubChem CID91568211
Molecular FormulaC11H23O5P
Molecular Weight266.27 g/mol
Exact Mass266.13
IUPAC Namebutyl [butoxy(ethoxy)phosphoryl]formate
SMILESCCCCOC(=O)P(=O)(OCC)OCCCC
InChIInChI=1S/C11H23O5P/c1-4-7-9-14-11(12)17(13,15-6-3)16-10-8-5-2/h4-10H2,1-3H3
InChIKeyBHGSHHKFKFFQHK-UHFFFAOYSA-N
XLogP3.97
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 butyl [butoxy(ethoxy)phosphoryl]formate?
The IUPAC name of butyl [butoxy(ethoxy)phosphoryl]formate (CID 91568211) is butyl [butoxy(ethoxy)phosphoryl]formate.
What is the SMILES notation for butyl [butoxy(ethoxy)phosphoryl]formate?
The canonical SMILES for butyl [butoxy(ethoxy)phosphoryl]formate is CCCCOC(=O)P(=O)(OCC)OCCCC.
What is the InChIKey of butyl [butoxy(ethoxy)phosphoryl]formate?
The InChIKey is BHGSHHKFKFFQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O5P/c1-4-7-9-14-11(12)17(13,15-6-3)16-10-8-5-2/h4-10H2,1-3H3.
What are the key properties of butyl [butoxy(ethoxy)phosphoryl]formate?
butyl [butoxy(ethoxy)phosphoryl]formate has a molecular weight of 266.27 g/mol, XLogP of 3.97, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl [butoxy(ethoxy)phosphoryl]formate is sourced from PubChem (CID 91568211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).