(E)-1-[ethoxy(methoxy)phosphoryl]octadec-1-ene

C21H43O3P — CID 20520429

IUPAC(E)-1-[ethoxy(methoxy)phosphoryl]octadec-1-ene
SMILESCCCCCCCCCCCCCCCC/C=C/P(=O)(OC)OCC
InChIInChI=1S/C21H43O3P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23-3)24-5-2/h20-21H,4-19H2,1-3H3/b21-20+
InChIKeyLAJFHKDARPOTMT-QZQOTICOSA-N
MW374.55 g/mol
LogP8.25
Rot. Bonds19

About (E)-1-[ethoxy(methoxy)phosphoryl]octadec-1-ene

(E)-1-[ethoxy(methoxy)phosphoryl]octadec-1-ene (PubChem CID 20520429) has the molecular formula C21H43O3P and a molecular weight of 374.55 g/mol. Its IUPAC name is (E)-1-[ethoxy(methoxy)phosphoryl]octadec-1-ene.

Molecular Properties

Compound Name(E)-1-[ethoxy(methoxy)phosphoryl]octadec-1-ene
PubChem CID20520429
Molecular FormulaC21H43O3P
Molecular Weight374.55 g/mol
Exact Mass374.29
IUPAC Name(E)-1-[ethoxy(methoxy)phosphoryl]octadec-1-ene
SMILESCCCCCCCCCCCCCCCC/C=C/P(=O)(OC)OCC
InChIInChI=1S/C21H43O3P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23-3)24-5-2/h20-21H,4-19H2,1-3H3/b21-20+
InChIKeyLAJFHKDARPOTMT-QZQOTICOSA-N
XLogP8.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.55
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[ethoxy(methoxy)phosphoryl]octadec-1-ene?
The IUPAC name of (E)-1-[ethoxy(methoxy)phosphoryl]octadec-1-ene (CID 20520429) is (E)-1-[ethoxy(methoxy)phosphoryl]octadec-1-ene.
What is the SMILES notation for (E)-1-[ethoxy(methoxy)phosphoryl]octadec-1-ene?
The canonical SMILES for (E)-1-[ethoxy(methoxy)phosphoryl]octadec-1-ene is CCCCCCCCCCCCCCCC/C=C/P(=O)(OC)OCC.
What is the InChIKey of (E)-1-[ethoxy(methoxy)phosphoryl]octadec-1-ene?
The InChIKey is LAJFHKDARPOTMT-QZQOTICOSA-N. The full InChI is InChI=1S/C21H43O3P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23-3)24-5-2/h20-21H,4-19H2,1-3H3/b21-20+.
What are the key properties of (E)-1-[ethoxy(methoxy)phosphoryl]octadec-1-ene?
(E)-1-[ethoxy(methoxy)phosphoryl]octadec-1-ene has a molecular weight of 374.55 g/mol, XLogP of 8.25, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[ethoxy(methoxy)phosphoryl]octadec-1-ene is sourced from PubChem (CID 20520429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).