2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethanol

C24H48O4 — CID 85060270

IUPAC2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethanol
SMILESCCCCCCCCC=CCCCCCCCCOCCOCCOCCO
InChIInChI=1S/C24H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-21-23-28-24-22-27-20-18-25/h9-10,25H,2-8,11-24H2,1H3
InChIKeyKGULFLCOPRYBEV-UHFFFAOYSA-N
MW400.64 g/mol
LogP6.07
Rot. Bonds24

About 2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethanol

2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethanol (PubChem CID 85060270) has the molecular formula C24H48O4 and a molecular weight of 400.64 g/mol. Its IUPAC name is 2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethanol
PubChem CID85060270
Molecular FormulaC24H48O4
Molecular Weight400.64 g/mol
Exact Mass400.36
IUPAC Name2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethanol
SMILESCCCCCCCCC=CCCCCCCCCOCCOCCOCCO
InChIInChI=1S/C24H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-21-23-28-24-22-27-20-18-25/h9-10,25H,2-8,11-24H2,1H3
InChIKeyKGULFLCOPRYBEV-UHFFFAOYSA-N
XLogP6.07
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.64
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 170920421
acetic acid;2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 71341370
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595918
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15607546
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594676
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595729
2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol
CID 169016922
2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol
CID 4639427
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-nonoxynonane
CID 22211981
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139597034
2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethanol
CID 175432010
(Z)-1-(2-propoxyethoxy)octadec-9-ene
CID 121476688

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethanol (CID 85060270) is 2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethanol is CCCCCCCCC=CCCCCCCCCOCCOCCOCCO.
What is the InChIKey of 2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethanol?
The InChIKey is KGULFLCOPRYBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-21-23-28-24-22-27-20-18-25/h9-10,25H,2-8,11-24H2,1H3.
What are the key properties of 2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethanol?
2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethanol has a molecular weight of 400.64 g/mol, XLogP of 6.07, 24 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 85060270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).