5-diethoxyphosphorylpent-1-ene

C9H19O3P — CID 13462469

IUPAC5-diethoxyphosphorylpent-1-ene
SMILESC=CCCCP(=O)(OCC)OCC
InChIInChI=1S/C9H19O3P/c1-4-7-8-9-13(10,11-5-2)12-6-3/h4H,1,5-9H2,2-3H3
InChIKeyBNPOXTWAZJVNFE-UHFFFAOYSA-N
MW206.22 g/mol
LogP3.22
Rot. Bonds8

About 5-diethoxyphosphorylpent-1-ene

5-diethoxyphosphorylpent-1-ene (PubChem CID 13462469) has the molecular formula C9H19O3P and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-diethoxyphosphorylpent-1-ene.

Molecular Properties

Compound Name5-diethoxyphosphorylpent-1-ene
PubChem CID13462469
Molecular FormulaC9H19O3P
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Name5-diethoxyphosphorylpent-1-ene
SMILESC=CCCCP(=O)(OCC)OCC
InChIInChI=1S/C9H19O3P/c1-4-7-8-9-13(10,11-5-2)12-6-3/h4H,1,5-9H2,2-3H3
InChIKeyBNPOXTWAZJVNFE-UHFFFAOYSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 5-diethoxyphosphorylpent-1-ene?
The IUPAC name of 5-diethoxyphosphorylpent-1-ene (CID 13462469) is 5-diethoxyphosphorylpent-1-ene.
What is the SMILES notation for 5-diethoxyphosphorylpent-1-ene?
The canonical SMILES for 5-diethoxyphosphorylpent-1-ene is C=CCCCP(=O)(OCC)OCC.
What is the InChIKey of 5-diethoxyphosphorylpent-1-ene?
The InChIKey is BNPOXTWAZJVNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O3P/c1-4-7-8-9-13(10,11-5-2)12-6-3/h4H,1,5-9H2,2-3H3.
What are the key properties of 5-diethoxyphosphorylpent-1-ene?
5-diethoxyphosphorylpent-1-ene has a molecular weight of 206.22 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphorylpent-1-ene is sourced from PubChem (CID 13462469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).