2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane

C15H32O5 — CID 118647955

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane
SMILESCCCOC1CCCCC1.OCCOCCOCCO
InChIInChI=1S/C9H18O.C6H14O4/c1-2-8-10-9-6-4-3-5-7-9;7-1-3-9-5-6-10-4-2-8/h9H,2-8H2,1H3;7-8H,1-6H2
InChIKeyTVPZKVQKUBXWID-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.75
Rot. Bonds10

About 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane

2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane (PubChem CID 118647955) has the molecular formula C15H32O5 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane
PubChem CID118647955
Molecular FormulaC15H32O5
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane
SMILESCCCOC1CCCCC1.OCCOCCOCCO
InChIInChI=1S/C9H18O.C6H14O4/c1-2-8-10-9-6-4-3-5-7-9;7-1-3-9-5-6-10-4-2-8/h9H,2-8H2,1H3;7-8H,1-6H2
InChIKeyTVPZKVQKUBXWID-UHFFFAOYSA-N
XLogP1.75
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propoxycyclooctane
CID 54078990
2-(2-cyclopropyloxyethoxy)ethanol
CID 57000594
butoxycyclopentane;ethane-1,2-diol
CID 174670164
cyclohexane;octan-1-ol;octoxycyclohexane
CID 157453756
2-cyclopentyloxyethanol;ethane;methanamine
CID 144529135
2-butoxyethoxycyclobutane
CID 150038799
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
5-propoxycyclooctene
CID 77387390
2-[2-(oxan-2-yloxy)ethoxy]ethanol;2-(2-propoxyethoxy)oxane
CID 160999917
1-methyl-4-propoxyazonane
CID 134172223
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-(12-octadecoxydodecoxy)ethoxy]ethanol
CID 169016922

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane (CID 118647955) is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane is CCCOC1CCCCC1.OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane?
The InChIKey is TVPZKVQKUBXWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.C6H14O4/c1-2-8-10-9-6-4-3-5-7-9;7-1-3-9-5-6-10-4-2-8/h9H,2-8H2,1H3;7-8H,1-6H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane?
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane has a molecular weight of 292.42 g/mol, XLogP of 1.75, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane is sourced from PubChem (CID 118647955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).