2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol

C34H70O4 — CID 169016922

IUPAC2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol
SMILESCCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCOCCOCCO
InChIInChI=1S/C34H70O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25-29-36-30-26-23-20-17-14-15-18-21-24-27-31-37-33-34-38-32-28-35/h35H,2-34H2,1H3
InChIKeyPGWXRMOIHYFHJX-UHFFFAOYSA-N
MW542.93 g/mol
LogP10.19
Rot. Bonds35

About 2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol

2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol (PubChem CID 169016922) has the molecular formula C34H70O4 and a molecular weight of 542.93 g/mol. Its IUPAC name is 2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol
PubChem CID169016922
Molecular FormulaC34H70O4
Molecular Weight542.93 g/mol
Exact Mass542.53
IUPAC Name2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol
SMILESCCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCOCCOCCO
InChIInChI=1S/C34H70O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25-29-36-30-26-23-20-17-14-15-18-21-24-27-31-37-33-34-38-32-28-35/h35H,2-34H2,1H3
InChIKeyPGWXRMOIHYFHJX-UHFFFAOYSA-N
XLogP10.19
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds35
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.93
LogP ≤ 510.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-[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-(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-(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-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrobromide
CID 172741236
2-dodecoxyethanol
CID 24750
2-heptoxyethanol
CID 23889
2-tetradecoxyethanol
CID 16491
sodium;2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;hydride
CID 173019148

Frequently Asked Questions

What is the IUPAC name of 2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol (CID 169016922) is 2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol is CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCOCCOCCO.
What is the InChIKey of 2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol?
The InChIKey is PGWXRMOIHYFHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25-29-36-30-26-23-20-17-14-15-18-21-24-27-31-37-33-34-38-32-28-35/h35H,2-34H2,1H3.
What are the key properties of 2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol?
2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol has a molecular weight of 542.93 g/mol, XLogP of 10.19, 35 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol is sourced from PubChem (CID 169016922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).