1-[2-[butoxy(ethyl)phosphoryl]ethoxy]butane

C12H27O3P — CID 87380274

IUPAC1-[2-[butoxy(ethyl)phosphoryl]ethoxy]butane
SMILESCCCCOCCP(=O)(CC)OCCCC
InChIInChI=1S/C12H27O3P/c1-4-7-9-14-11-12-16(13,6-3)15-10-8-5-2/h4-12H2,1-3H3
InChIKeyWWUPAVKJSMMHQA-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.92
Rot. Bonds11

About 1-[2-[butoxy(ethyl)phosphoryl]ethoxy]butane

1-[2-[butoxy(ethyl)phosphoryl]ethoxy]butane (PubChem CID 87380274) has the molecular formula C12H27O3P and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-[2-[butoxy(ethyl)phosphoryl]ethoxy]butane.

Molecular Properties

Compound Name1-[2-[butoxy(ethyl)phosphoryl]ethoxy]butane
PubChem CID87380274
Molecular FormulaC12H27O3P
Molecular Weight250.32 g/mol
Exact Mass250.17
IUPAC Name1-[2-[butoxy(ethyl)phosphoryl]ethoxy]butane
SMILESCCCCOCCP(=O)(CC)OCCCC
InChIInChI=1S/C12H27O3P/c1-4-7-9-14-11-12-16(13,6-3)15-10-8-5-2/h4-12H2,1-3H3
InChIKeyWWUPAVKJSMMHQA-UHFFFAOYSA-N
XLogP3.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.92
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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Related Compounds

1-[2-bromoethyl(ethyl)phosphoryl]oxybutane
CID 71444655
1-[ethyl(octyl)phosphoryl]oxyoctane
CID 174639586
1,3-bis(diethylphosphoryloxy)propane
CID 23081880
tris(2-butoxyethyl) phosphate
CID 6540
butoxy(ethyl)phosphinic acid
CID 71353007
tris(3-pentadecoxypropyl) phosphate
CID 126525532
bis(2-butoxyethyl) phosphate
CID 139596269
[butoxy(hexyl)phosphoryl]methanol
CID 86752200
terbium;tributyl phosphate
CID 90187591
tributyl phosphate;trihydrochloride
CID 173157313
europium;tributyl phosphate
CID 90187569
tris(butoxymethyl) phosphate
CID 22620630

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butoxy(ethyl)phosphoryl]ethoxy]butane?
The IUPAC name of 1-[2-[butoxy(ethyl)phosphoryl]ethoxy]butane (CID 87380274) is 1-[2-[butoxy(ethyl)phosphoryl]ethoxy]butane.
What is the SMILES notation for 1-[2-[butoxy(ethyl)phosphoryl]ethoxy]butane?
The canonical SMILES for 1-[2-[butoxy(ethyl)phosphoryl]ethoxy]butane is CCCCOCCP(=O)(CC)OCCCC.
What is the InChIKey of 1-[2-[butoxy(ethyl)phosphoryl]ethoxy]butane?
The InChIKey is WWUPAVKJSMMHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O3P/c1-4-7-9-14-11-12-16(13,6-3)15-10-8-5-2/h4-12H2,1-3H3.
What are the key properties of 1-[2-[butoxy(ethyl)phosphoryl]ethoxy]butane?
1-[2-[butoxy(ethyl)phosphoryl]ethoxy]butane has a molecular weight of 250.32 g/mol, XLogP of 3.92, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butoxy(ethyl)phosphoryl]ethoxy]butane is sourced from PubChem (CID 87380274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).