1-[ethoxy(ethyl)phosphoryl]but-1-ene

C8H17O2P — CID 91043072

IUPAC1-[ethoxy(ethyl)phosphoryl]but-1-ene
SMILESCCC=CP(=O)(CC)OCC
InChIInChI=1S/C8H17O2P/c1-4-7-8-11(9,6-3)10-5-2/h7-8H,4-6H2,1-3H3
InChIKeyZEOSDJUHPWWXRH-UHFFFAOYSA-N
MW176.20 g/mol
LogP3.24
Rot. Bonds5

About 1-[ethoxy(ethyl)phosphoryl]but-1-ene

1-[ethoxy(ethyl)phosphoryl]but-1-ene (PubChem CID 91043072) has the molecular formula C8H17O2P and a molecular weight of 176.20 g/mol. Its IUPAC name is 1-[ethoxy(ethyl)phosphoryl]but-1-ene.

Molecular Properties

Compound Name1-[ethoxy(ethyl)phosphoryl]but-1-ene
PubChem CID91043072
Molecular FormulaC8H17O2P
Molecular Weight176.20 g/mol
Exact Mass176.10
IUPAC Name1-[ethoxy(ethyl)phosphoryl]but-1-ene
SMILESCCC=CP(=O)(CC)OCC
InChIInChI=1S/C8H17O2P/c1-4-7-8-11(9,6-3)10-5-2/h7-8H,4-6H2,1-3H3
InChIKeyZEOSDJUHPWWXRH-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[ethoxy(ethyl)phosphoryl]prop-2-enoic acid
CID 124705771
(1E,3E)-1-diethoxyphosphorylhexa-1,3-diene
CID 13450210
(E)-1-diethoxyphosphorylsulfanylbut-1-ene
CID 6368487
diaminophosphoryloxyethane
CID 12620494
1-di(propan-2-yloxy)phosphorylbut-1-ene
CID 176894704
but-1-enyl(methyl)phosphinic acid
CID 123464058
2-[ethyl-[(Z)-prop-1-enyl]phosphoryl]oxyethanol
CID 87383772
4-diethoxyphosphorylbut-2-en-1-amine
CID 54382896
CID 134857162
CID 134857162
diethoxy-ethyl-tellanylidene-λ5-phosphane
CID 23600161
but-1-enyl(propyl)phosphinic acid
CID 91503829
1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane
CID 160513005

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(ethyl)phosphoryl]but-1-ene?
The IUPAC name of 1-[ethoxy(ethyl)phosphoryl]but-1-ene (CID 91043072) is 1-[ethoxy(ethyl)phosphoryl]but-1-ene.
What is the SMILES notation for 1-[ethoxy(ethyl)phosphoryl]but-1-ene?
The canonical SMILES for 1-[ethoxy(ethyl)phosphoryl]but-1-ene is CCC=CP(=O)(CC)OCC.
What is the InChIKey of 1-[ethoxy(ethyl)phosphoryl]but-1-ene?
The InChIKey is ZEOSDJUHPWWXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O2P/c1-4-7-8-11(9,6-3)10-5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-[ethoxy(ethyl)phosphoryl]but-1-ene?
1-[ethoxy(ethyl)phosphoryl]but-1-ene has a molecular weight of 176.20 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(ethyl)phosphoryl]but-1-ene is sourced from PubChem (CID 91043072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).