1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol

C18H38O5 — CID 87802257

IUPAC1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESCCCCCCCCCCCCOC(O)COCCOCCO
InChIInChI=1S/C18H38O5/c1-2-3-4-5-6-7-8-9-10-11-13-23-18(20)17-22-16-15-21-14-12-19/h18-20H,2-17H2,1H3
InChIKeyXWJVJQQAGLMLND-UHFFFAOYSA-N
MW334.50 g/mol
LogP3.27
Rot. Bonds19

About 1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol

1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol (PubChem CID 87802257) has the molecular formula C18H38O5 and a molecular weight of 334.50 g/mol. Its IUPAC name is 1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
PubChem CID87802257
Molecular FormulaC18H38O5
Molecular Weight334.50 g/mol
Exact Mass334.27
IUPAC Name1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESCCCCCCCCCCCCOC(O)COCCOCCO
InChIInChI=1S/C18H38O5/c1-2-3-4-5-6-7-8-9-10-11-13-23-18(20)17-22-16-15-21-14-12-19/h18-20H,2-17H2,1H3
InChIKeyXWJVJQQAGLMLND-UHFFFAOYSA-N
XLogP3.27
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol
CID 158422063
1-hexoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid
CID 88724515
1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol
CID 90068149
1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid
CID 87238952
1-(2-ethoxyethoxy)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 151784602
3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174323318
2-(2-hydroxyethoxy)-1-(6-methylheptoxy)ethanol
CID 172703318
2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol
CID 169016922
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-hexadecoxyethoxy)ethoxy]ethanol
CID 4639427

Frequently Asked Questions

What is the IUPAC name of 1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The IUPAC name of 1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol (CID 87802257) is 1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol.
What is the SMILES notation for 1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The canonical SMILES for 1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol is CCCCCCCCCCCCOC(O)COCCOCCO.
What is the InChIKey of 1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The InChIKey is XWJVJQQAGLMLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O5/c1-2-3-4-5-6-7-8-9-10-11-13-23-18(20)17-22-16-15-21-14-12-19/h18-20H,2-17H2,1H3.
What are the key properties of 1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol has a molecular weight of 334.50 g/mol, XLogP of 3.27, 19 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 87802257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).