1-dipropoxyphosphorylbut-2-ene

C10H21O3P — CID 88787580

IUPAC1-dipropoxyphosphorylbut-2-ene
SMILESCC=CCP(=O)(OCCC)OCCC
InChIInChI=1S/C10H21O3P/c1-4-7-10-14(11,12-8-5-2)13-9-6-3/h4,7H,5-6,8-10H2,1-3H3
InChIKeyRPESVHLMPBWOEJ-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.61
Rot. Bonds8

About 1-dipropoxyphosphorylbut-2-ene

1-dipropoxyphosphorylbut-2-ene (PubChem CID 88787580) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-dipropoxyphosphorylbut-2-ene.

Molecular Properties

Compound Name1-dipropoxyphosphorylbut-2-ene
PubChem CID88787580
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name1-dipropoxyphosphorylbut-2-ene
SMILESCC=CCP(=O)(OCCC)OCCC
InChIInChI=1S/C10H21O3P/c1-4-7-10-14(11,12-8-5-2)13-9-6-3/h4,7H,5-6,8-10H2,1-3H3
InChIKeyRPESVHLMPBWOEJ-UHFFFAOYSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dipropoxyphosphorylbut-2-ene?
The IUPAC name of 1-dipropoxyphosphorylbut-2-ene (CID 88787580) is 1-dipropoxyphosphorylbut-2-ene.
What is the SMILES notation for 1-dipropoxyphosphorylbut-2-ene?
The canonical SMILES for 1-dipropoxyphosphorylbut-2-ene is CC=CCP(=O)(OCCC)OCCC.
What is the InChIKey of 1-dipropoxyphosphorylbut-2-ene?
The InChIKey is RPESVHLMPBWOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3P/c1-4-7-10-14(11,12-8-5-2)13-9-6-3/h4,7H,5-6,8-10H2,1-3H3.
What are the key properties of 1-dipropoxyphosphorylbut-2-ene?
1-dipropoxyphosphorylbut-2-ene has a molecular weight of 220.25 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dipropoxyphosphorylbut-2-ene is sourced from PubChem (CID 88787580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).