(Z)-1-[ethoxy(fluoro)phosphoryl]octadec-8-ene

C20H40FO2P — CID 44589212

IUPAC(Z)-1-[ethoxy(fluoro)phosphoryl]octadec-8-ene
SMILESCCCCCCCCC/C=C\CCCCCCCP(=O)(F)OCC
InChIInChI=1S/C20H40FO2P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22)23-4-2/h12-13H,3-11,14-20H2,1-2H3/b13-12-
InChIKeyVYZPCTVFYQGPIG-SEYXRHQNSA-N
MW362.51 g/mol
LogP8.22
Rot. Bonds18

About (Z)-1-[ethoxy(fluoro)phosphoryl]octadec-8-ene

(Z)-1-[ethoxy(fluoro)phosphoryl]octadec-8-ene (PubChem CID 44589212) has the molecular formula C20H40FO2P and a molecular weight of 362.51 g/mol. Its IUPAC name is (Z)-1-[ethoxy(fluoro)phosphoryl]octadec-8-ene.

Molecular Properties

Compound Name(Z)-1-[ethoxy(fluoro)phosphoryl]octadec-8-ene
PubChem CID44589212
Molecular FormulaC20H40FO2P
Molecular Weight362.51 g/mol
Exact Mass362.27
IUPAC Name(Z)-1-[ethoxy(fluoro)phosphoryl]octadec-8-ene
SMILESCCCCCCCCC/C=C\CCCCCCCP(=O)(F)OCC
InChIInChI=1S/C20H40FO2P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22)23-4-2/h12-13H,3-11,14-20H2,1-2H3/b13-12-
InChIKeyVYZPCTVFYQGPIG-SEYXRHQNSA-N
XLogP8.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (Z)-1-[ethoxy(fluoro)phosphoryl]octadec-8-ene?
The IUPAC name of (Z)-1-[ethoxy(fluoro)phosphoryl]octadec-8-ene (CID 44589212) is (Z)-1-[ethoxy(fluoro)phosphoryl]octadec-8-ene.
What is the SMILES notation for (Z)-1-[ethoxy(fluoro)phosphoryl]octadec-8-ene?
The canonical SMILES for (Z)-1-[ethoxy(fluoro)phosphoryl]octadec-8-ene is CCCCCCCCC/C=C\CCCCCCCP(=O)(F)OCC.
What is the InChIKey of (Z)-1-[ethoxy(fluoro)phosphoryl]octadec-8-ene?
The InChIKey is VYZPCTVFYQGPIG-SEYXRHQNSA-N. The full InChI is InChI=1S/C20H40FO2P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22)23-4-2/h12-13H,3-11,14-20H2,1-2H3/b13-12-.
What are the key properties of (Z)-1-[ethoxy(fluoro)phosphoryl]octadec-8-ene?
(Z)-1-[ethoxy(fluoro)phosphoryl]octadec-8-ene has a molecular weight of 362.51 g/mol, XLogP of 8.22, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[ethoxy(fluoro)phosphoryl]octadec-8-ene is sourced from PubChem (CID 44589212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).