1-(1-diethoxyphosphorylethenoxy)butane

C10H21O4P — CID 100931500

IUPAC1-(1-diethoxyphosphorylethenoxy)butane
SMILESC=C(OCCCC)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O4P/c1-5-8-9-12-10(4)15(11,13-6-2)14-7-3/h4-9H2,1-3H3
InChIKeyHYHHVHPSIMAQKP-UHFFFAOYSA-N
MW236.25 g/mol
LogP3.54
Rot. Bonds9

About 1-(1-diethoxyphosphorylethenoxy)butane

1-(1-diethoxyphosphorylethenoxy)butane (PubChem CID 100931500) has the molecular formula C10H21O4P and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-(1-diethoxyphosphorylethenoxy)butane.

Molecular Properties

Compound Name1-(1-diethoxyphosphorylethenoxy)butane
PubChem CID100931500
Molecular FormulaC10H21O4P
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name1-(1-diethoxyphosphorylethenoxy)butane
SMILESC=C(OCCCC)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O4P/c1-5-8-9-12-10(4)15(11,13-6-2)14-7-3/h4-9H2,1-3H3
InChIKeyHYHHVHPSIMAQKP-UHFFFAOYSA-N
XLogP3.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-1-diethoxyphosphoryl-2-ethoxyethene
CID 5776818
1-(1-Diethoxyphosphoryl-ethenoxy)-ethane
CID 2784304
1-Dibutoxyphosphorylethenyl acetate
CID 15681913
1,1-Bis(diethoxyphosphoryl)-2-methoxyethene
CID 88050220
tributyl-[(Z)-1-diethoxyphosphoryl-2-ethoxyethenyl]stannane
CID 10696622
(E)-2-diethoxyphosphoryl-1-methoxyprop-1-ene
CID 12586022
1-[(E)-2-diethoxyphosphorylethenoxy]butane
CID 12602192
(Z)-1-diethoxyphosphoryl-1-ethoxyprop-1-ene
CID 13172413
(E)-2-diethoxyphosphoryl-1-ethoxyprop-1-ene
CID 100931501
[(Z)-1-diethoxyphosphoryl-2-ethoxyethenyl]-trimethylgermane
CID 134895592
1-[Butoxy(1-ethoxyethenyl)phosphoryl]oxybutane
CID 305825
[2-Butoxy-2-di(propan-2-yloxy)phosphorylethenyl]-chloromercury
CID 23268345

Frequently Asked Questions

What is the IUPAC name of 1-(1-diethoxyphosphorylethenoxy)butane?
The IUPAC name of 1-(1-diethoxyphosphorylethenoxy)butane (CID 100931500) is 1-(1-diethoxyphosphorylethenoxy)butane.
What is the SMILES notation for 1-(1-diethoxyphosphorylethenoxy)butane?
The canonical SMILES for 1-(1-diethoxyphosphorylethenoxy)butane is C=C(OCCCC)P(=O)(OCC)OCC.
What is the InChIKey of 1-(1-diethoxyphosphorylethenoxy)butane?
The InChIKey is HYHHVHPSIMAQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O4P/c1-5-8-9-12-10(4)15(11,13-6-2)14-7-3/h4-9H2,1-3H3.
What are the key properties of 1-(1-diethoxyphosphorylethenoxy)butane?
1-(1-diethoxyphosphorylethenoxy)butane has a molecular weight of 236.25 g/mol, XLogP of 3.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-diethoxyphosphorylethenoxy)butane is sourced from PubChem (CID 100931500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).