Triethyl 2-phosphonobutyrate

Catalog Number	ACM17145914-1
CAS	17145-91-4
Structure
Synonyms	Ethyl 2-(diethoxyphosphoryl)butanoate; α-Diethylphosphonobutanoic acid ethyl ester
IUPAC Name	ethyl 2-diethoxyphosphorylbutanoate
Molecular Weight	252.24
Molecular Formula	C10H21O5P
InChI	GYUCVQSNZFRDRL-UHFFFAOYSA-N
InChI Key	InChI=1S/C10H21O5P/c1-5-9(10(11)13-6-2)16(12,14-7-3)15-8-4/h9H,5-8H2,1-4H3
Boiling Point	152-154 °C at 14 mmHg(lit.)
Flash Point	>230 °F
Purity	98%
Density	1.064 g/mL at 25 °C(lit.)
Appearance	Liquid
Isomeric SMILES	CCC(C(=O)OCC)P(=O)(OCC)OCC

Q&A

What is the IUPAC name of the compound featured?

The IUPAC name of the compound is ethyl 2-diethoxyphosphorylbutanoate.

What is the molecular formula of the compound?

The molecular formula is C10H21O5P.

What is the CAS number of the compound?

The CAS number is 17145-91-4.

How many heavy atoms are present in the compound?

There are 16 heavy atoms in the compound.

What is the molecular weight of the compound?

The molecular weight is 252.24g/mol.

How many hydrogen bond acceptors are present in the compound?

There are 5 hydrogen bond acceptors in the compound.

How many rotatable bonds are present in the compound?

There are 9 rotatable bonds in the compound.

What is the XLogP3 value of the compound?

The XLogP3 value is 1.4.

What is the exact mass of the compound?

The exact mass is 252.11266076.

What are some of the depositor-supplied synonyms for the compound?

Some of the synonyms include Triethyl 2-phosphonobutyrate, Ethyl 2-(diethoxyphosphoryl)butanoate, and Butyric acid, 2-phosphono-, triethyl ester.