11-[di(propan-2-yloxy)phosphorylmethyl-ethoxyphosphoryl]undec-1-ene

C20H42O5P2 — CID 21054116

IUPAC11-[di(propan-2-yloxy)phosphorylmethyl-ethoxyphosphoryl]undec-1-ene
SMILESC=CCCCCCCCCCP(=O)(CP(=O)(OC(C)C)OC(C)C)OCC
InChIInChI=1S/C20H42O5P2/c1-7-9-10-11-12-13-14-15-16-17-26(21,23-8-2)18-27(22,24-19(3)4)25-20(5)6/h7,19-20H,1,8-18H2,2-6H3
InChIKeySCFZGUNQZHUUBY-UHFFFAOYSA-N
MW424.50 g/mol
LogP7.61
Rot. Bonds18

About 11-[di(propan-2-yloxy)phosphorylmethyl-ethoxyphosphoryl]undec-1-ene

11-[di(propan-2-yloxy)phosphorylmethyl-ethoxyphosphoryl]undec-1-ene (PubChem CID 21054116) has the molecular formula C20H42O5P2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 11-[di(propan-2-yloxy)phosphorylmethyl-ethoxyphosphoryl]undec-1-ene.

Molecular Properties

Compound Name11-[di(propan-2-yloxy)phosphorylmethyl-ethoxyphosphoryl]undec-1-ene
PubChem CID21054116
Molecular FormulaC20H42O5P2
Molecular Weight424.50 g/mol
Exact Mass424.25
IUPAC Name11-[di(propan-2-yloxy)phosphorylmethyl-ethoxyphosphoryl]undec-1-ene
SMILESC=CCCCCCCCCCP(=O)(CP(=O)(OC(C)C)OC(C)C)OCC
InChIInChI=1S/C20H42O5P2/c1-7-9-10-11-12-13-14-15-16-17-26(21,23-8-2)18-27(22,24-19(3)4)25-20(5)6/h7,19-20H,1,8-18H2,2-6H3
InChIKeySCFZGUNQZHUUBY-UHFFFAOYSA-N
XLogP7.61
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 11-[di(propan-2-yloxy)phosphorylmethyl-ethoxyphosphoryl]undec-1-ene?
The IUPAC name of 11-[di(propan-2-yloxy)phosphorylmethyl-ethoxyphosphoryl]undec-1-ene (CID 21054116) is 11-[di(propan-2-yloxy)phosphorylmethyl-ethoxyphosphoryl]undec-1-ene.
What is the SMILES notation for 11-[di(propan-2-yloxy)phosphorylmethyl-ethoxyphosphoryl]undec-1-ene?
The canonical SMILES for 11-[di(propan-2-yloxy)phosphorylmethyl-ethoxyphosphoryl]undec-1-ene is C=CCCCCCCCCCP(=O)(CP(=O)(OC(C)C)OC(C)C)OCC.
What is the InChIKey of 11-[di(propan-2-yloxy)phosphorylmethyl-ethoxyphosphoryl]undec-1-ene?
The InChIKey is SCFZGUNQZHUUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O5P2/c1-7-9-10-11-12-13-14-15-16-17-26(21,23-8-2)18-27(22,24-19(3)4)25-20(5)6/h7,19-20H,1,8-18H2,2-6H3.
What are the key properties of 11-[di(propan-2-yloxy)phosphorylmethyl-ethoxyphosphoryl]undec-1-ene?
11-[di(propan-2-yloxy)phosphorylmethyl-ethoxyphosphoryl]undec-1-ene has a molecular weight of 424.50 g/mol, XLogP of 7.61, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[di(propan-2-yloxy)phosphorylmethyl-ethoxyphosphoryl]undec-1-ene is sourced from PubChem (CID 21054116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).