2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-(3-methoxyprop-1-en-2-yloxy)hexane

C16H34O6 — CID 87295984

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-(3-methoxyprop-1-en-2-yloxy)hexane
SMILESC=C(COC)OCCCCCC.OCCOCCOCCO
InChIInChI=1S/C10H20O2.C6H14O4/c1-4-5-6-7-8-12-10(2)9-11-3;7-1-3-9-5-6-10-4-2-8/h2,4-9H2,1,3H3;7-8H,1-6H2
InChIKeyJSGVPRDVMVDRFX-UHFFFAOYSA-N
MW322.44 g/mol
LogP1.75
Rot. Bonds15

About 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-(3-methoxyprop-1-en-2-yloxy)hexane

2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-(3-methoxyprop-1-en-2-yloxy)hexane (PubChem CID 87295984) has the molecular formula C16H34O6 and a molecular weight of 322.44 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-(3-methoxyprop-1-en-2-yloxy)hexane.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-(3-methoxyprop-1-en-2-yloxy)hexane
PubChem CID87295984
Molecular FormulaC16H34O6
Molecular Weight322.44 g/mol
Exact Mass322.24
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-(3-methoxyprop-1-en-2-yloxy)hexane
SMILESC=C(COC)OCCCCCC.OCCOCCOCCO
InChIInChI=1S/C10H20O2.C6H14O4/c1-4-5-6-7-8-12-10(2)9-11-3;7-1-3-9-5-6-10-4-2-8/h2,4-9H2,1,3H3;7-8H,1-6H2
InChIKeyJSGVPRDVMVDRFX-UHFFFAOYSA-N
XLogP1.75
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-(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
1-[2-(2-butoxyethoxy)ethoxy]butane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-methoxyhexane
CID 175360949
2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrobromide
CID 172741236
2-dodecoxyethanol
CID 24750
2-tetradecoxyethanol
CID 16491

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-(3-methoxyprop-1-en-2-yloxy)hexane?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-(3-methoxyprop-1-en-2-yloxy)hexane (CID 87295984) is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-(3-methoxyprop-1-en-2-yloxy)hexane.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-(3-methoxyprop-1-en-2-yloxy)hexane?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-(3-methoxyprop-1-en-2-yloxy)hexane is C=C(COC)OCCCCCC.OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-(3-methoxyprop-1-en-2-yloxy)hexane?
The InChIKey is JSGVPRDVMVDRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C6H14O4/c1-4-5-6-7-8-12-10(2)9-11-3;7-1-3-9-5-6-10-4-2-8/h2,4-9H2,1,3H3;7-8H,1-6H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-(3-methoxyprop-1-en-2-yloxy)hexane?
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-(3-methoxyprop-1-en-2-yloxy)hexane has a molecular weight of 322.44 g/mol, XLogP of 1.75, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-(3-methoxyprop-1-en-2-yloxy)hexane is sourced from PubChem (CID 87295984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).