2-diethoxyphosphorylpent-1-ene

C9H19O3P — CID 11844671

IUPAC2-diethoxyphosphorylpent-1-ene
SMILESC=C(CCC)P(=O)(OCC)OCC
InChIInChI=1S/C9H19O3P/c1-5-8-9(4)13(10,11-6-2)12-7-3/h4-8H2,1-3H3
InChIKeyUXQUGIOXXJDALF-UHFFFAOYSA-N
MW206.22 g/mol
LogP3.57
Rot. Bonds7

About 2-diethoxyphosphorylpent-1-ene

2-diethoxyphosphorylpent-1-ene (PubChem CID 11844671) has the molecular formula C9H19O3P and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-diethoxyphosphorylpent-1-ene.

Molecular Properties

Compound Name2-diethoxyphosphorylpent-1-ene
PubChem CID11844671
Molecular FormulaC9H19O3P
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Name2-diethoxyphosphorylpent-1-ene
SMILESC=C(CCC)P(=O)(OCC)OCC
InChIInChI=1S/C9H19O3P/c1-5-8-9(4)13(10,11-6-2)12-7-3/h4-8H2,1-3H3
InChIKeyUXQUGIOXXJDALF-UHFFFAOYSA-N
XLogP3.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
1-chloro-1-diethoxyphosphorylethene
CID 11481045
2-diethoxyphosphorylprop-2-enal
CID 10888762
bis(diethoxyphosphoryl)methanimine
CID 87803281
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
(Z)-3-diethoxyphosphorylhept-2-ene
CID 101401796
ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid
CID 101374265
2-diethoxyphosphorylprop-2-enoxymethylbenzene
CID 11129808
(E)-1-diethoxyphosphoryl-N,N-dimethylpent-1-en-1-amine
CID 101455726
1-diethoxyphosphoryl-3-fluoropropan-1-one
CID 71349176
N-(1-diethoxyphosphorylhexylidene)hydroxylamine
CID 86741358
(3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene
CID 11474216

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylpent-1-ene?
The IUPAC name of 2-diethoxyphosphorylpent-1-ene (CID 11844671) is 2-diethoxyphosphorylpent-1-ene.
What is the SMILES notation for 2-diethoxyphosphorylpent-1-ene?
The canonical SMILES for 2-diethoxyphosphorylpent-1-ene is C=C(CCC)P(=O)(OCC)OCC.
What is the InChIKey of 2-diethoxyphosphorylpent-1-ene?
The InChIKey is UXQUGIOXXJDALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O3P/c1-5-8-9(4)13(10,11-6-2)12-7-3/h4-8H2,1-3H3.
What are the key properties of 2-diethoxyphosphorylpent-1-ene?
2-diethoxyphosphorylpent-1-ene has a molecular weight of 206.22 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylpent-1-ene is sourced from PubChem (CID 11844671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).