2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethanol

C22H44O3 — CID 13387455

IUPAC2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethanol
SMILESCCCCCCCC/C=C\CCCCCCCCOCCOCCO
InChIInChI=1S/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h9-10,23H,2-8,11-22H2,1H3/b10-9-
InChIKeyMGYUQZIGNZFZJS-KTKRTIGZSA-N
MW356.59 g/mol
LogP6.05
Rot. Bonds21

About 2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethanol

2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethanol (PubChem CID 13387455) has the molecular formula C22H44O3 and a molecular weight of 356.59 g/mol. Its IUPAC name is 2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethanol
PubChem CID13387455
Molecular FormulaC22H44O3
Molecular Weight356.59 g/mol
Exact Mass356.33
IUPAC Name2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethanol
SMILESCCCCCCCC/C=C\CCCCCCCCOCCOCCO
InChIInChI=1S/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h9-10,23H,2-8,11-22H2,1H3/b10-9-
InChIKeyMGYUQZIGNZFZJS-KTKRTIGZSA-N
XLogP6.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.59
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethanol (CID 13387455) is 2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethanol is CCCCCCCC/C=C\CCCCCCCCOCCOCCO.
What is the InChIKey of 2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethanol?
The InChIKey is MGYUQZIGNZFZJS-KTKRTIGZSA-N. The full InChI is InChI=1S/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h9-10,23H,2-8,11-22H2,1H3/b10-9-.
What are the key properties of 2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethanol?
2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethanol has a molecular weight of 356.59 g/mol, XLogP of 6.05, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethanol is sourced from PubChem (CID 13387455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).